Natural Product: NPC470495

Natural Product ID:  NPC470495
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C34H50O6Si
Standard InCHIKey:  RZWFBNOFUAHADD-VTYRCZOESA-N
Standard InCHI:  InChI=1S/C34H50O6Si/c1-19-16-26(39-30(37)22(19)18-38-41(8,9)31(3,4)5)20(2)23-10-11-24-21-17-29-34(40-29)28(36)13-12-27(35)33(34,7)25(21)14-15-32(23,24)6/h12-13,20-21,23-26,29H,10-11,14-18H2,1-9H3/t20-,21-,23+,24-,25-,26+,29+,32+,33-,34+/m0/s1
Canonical SMILES:  C[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H]2[C@]3([C@]1(C)C(=O)C=CC3=O)O2)[C@H]1CC(=C(C(=O)O1)CO[Si](C(C)(C)C)(C)C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO20281 Withania aristata Species Solanaceae Eukaryota PMID[22705001]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 = 5300 nM 22608855
NPT83 Cell Line MCF7 Homo sapiens IC50 = 500 nM 21982797
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 4000 nM PubChem BioAssay data set
NPT189 Cell Line Vero Chlorocebus aethiops Ratio IC50 = 6.2 18077363
NPT165 Cell Line HeLa Homo sapiens IC50 = 1700 nM 26176165
NPT81 Cell Line A549 Homo sapiens IC50 = 2900 nM 22928967
NPT83 Cell Line MCF7 Homo sapiens IC50 = 200 nM 19805565
NPT165 Cell Line HeLa Homo sapiens IC50 = 2100 nM PubChem BioAssay data set
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 3100 nM DrugMatrix in vitro pharmacology data

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC470495 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8947 High Similarity NPC243065
0.8898 High Similarity NPC470494
0.8522 High Similarity NPC122056
0.8348 Intermediate Similarity NPC470960
0.8305 Intermediate Similarity NPC167606
0.8305 Intermediate Similarity NPC286528
0.8305 Intermediate Similarity NPC20302
0.8305 Intermediate Similarity NPC140055
0.8235 Intermediate Similarity NPC50774
0.8235 Intermediate Similarity NPC709
0.8167 Intermediate Similarity NPC264954
0.8167 Intermediate Similarity NPC475520
0.8151 Intermediate Similarity NPC470493
0.8151 Intermediate Similarity NPC470492
0.8151 Intermediate Similarity NPC183580
0.8151 Intermediate Similarity NPC312824
0.8136 Intermediate Similarity NPC147912
0.8136 Intermediate Similarity NPC67259
0.8099 Intermediate Similarity NPC474370
0.8034 Intermediate Similarity NPC474315
0.8033 Intermediate Similarity NPC67569
0.7984 Intermediate Similarity NPC3381
0.7967 Intermediate Similarity NPC153700
0.7967 Intermediate Similarity NPC170538
0.7967 Intermediate Similarity NPC470265
0.7967 Intermediate Similarity NPC88326
0.7967 Intermediate Similarity NPC23786
0.7966 Intermediate Similarity NPC69291
0.7934 Intermediate Similarity NPC473720
0.7928 Intermediate Similarity NPC2049
0.792 Intermediate Similarity NPC473635
0.7903 Intermediate Similarity NPC469789
0.7903 Intermediate Similarity NPC204812
0.7903 Intermediate Similarity NPC120724
0.7903 Intermediate Similarity NPC11895
0.7869 Intermediate Similarity NPC476960
0.7869 Intermediate Similarity NPC473274
0.7851 Intermediate Similarity NPC239273
0.7845 Intermediate Similarity NPC91034
0.7845 Intermediate Similarity NPC475294
0.784 Intermediate Similarity NPC8374
0.784 Intermediate Similarity NPC32868
0.784 Intermediate Similarity NPC241456
0.784 Intermediate Similarity NPC8369
0.7826 Intermediate Similarity NPC189616
0.7818 Intermediate Similarity NPC470697
0.7815 Intermediate Similarity NPC475524
0.7815 Intermediate Similarity NPC476163
0.7815 Intermediate Similarity NPC100267
0.7815 Intermediate Similarity NPC147180
0.7787 Intermediate Similarity NPC186525
0.7787 Intermediate Similarity NPC257457
0.7787 Intermediate Similarity NPC311554
0.7778 Intermediate Similarity NPC293112
0.7769 Intermediate Similarity NPC270929
0.7768 Intermediate Similarity NPC151488
0.7768 Intermediate Similarity NPC110937
0.775 Intermediate Similarity NPC159333
0.7748 Intermediate Similarity NPC33473
0.7742 Intermediate Similarity NPC473256
0.7742 Intermediate Similarity NPC470878
0.7739 Intermediate Similarity NPC329345
0.7739 Intermediate Similarity NPC475526
0.7739 Intermediate Similarity NPC473283
0.7719 Intermediate Similarity NPC168319
0.7719 Intermediate Similarity NPC194028
0.7719 Intermediate Similarity NPC310981
0.7706 Intermediate Similarity NPC161638
0.7705 Intermediate Similarity NPC476965
0.7705 Intermediate Similarity NPC470959
0.7699 Intermediate Similarity NPC252295
0.7698 Intermediate Similarity NPC81736
0.7698 Intermediate Similarity NPC172154
0.7686 Intermediate Similarity NPC284915
0.7667 Intermediate Similarity NPC264634
0.7652 Intermediate Similarity NPC320447
0.7647 Intermediate Similarity NPC469917
0.7647 Intermediate Similarity NPC472417
0.7642 Intermediate Similarity NPC329736
0.7627 Intermediate Similarity NPC475418
0.7627 Intermediate Similarity NPC473482
0.7627 Intermediate Similarity NPC318363
0.7623 Intermediate Similarity NPC148458
0.7623 Intermediate Similarity NPC64318
0.7615 Intermediate Similarity NPC231240
0.7611 Intermediate Similarity NPC84335
0.7611 Intermediate Similarity NPC38530
0.7603 Intermediate Similarity NPC472929
0.7597 Intermediate Similarity NPC473593
0.7586 Intermediate Similarity NPC180204
0.7586 Intermediate Similarity NPC72151
0.7586 Intermediate Similarity NPC470954
0.7581 Intermediate Similarity NPC472933
0.7581 Intermediate Similarity NPC61520
0.7581 Intermediate Similarity NPC473270
0.7578 Intermediate Similarity NPC287423
0.7565 Intermediate Similarity NPC473514
0.7563 Intermediate Similarity NPC475065
0.7563 Intermediate Similarity NPC474242
0.7561 Intermediate Similarity NPC472934
0.7561 Intermediate Similarity NPC471854
0.7557 Intermediate Similarity NPC58029
0.7557 Intermediate Similarity NPC316915
0.7545 Intermediate Similarity NPC273199
0.7544 Intermediate Similarity NPC98868
0.7544 Intermediate Similarity NPC264378
0.7542 Intermediate Similarity NPC476958
0.7522 Intermediate Similarity NPC307164
0.7521 Intermediate Similarity NPC191620
0.7521 Intermediate Similarity NPC221144
0.752 Intermediate Similarity NPC476961
0.752 Intermediate Similarity NPC476962
0.752 Intermediate Similarity NPC17938
0.75 Intermediate Similarity NPC40918
0.75 Intermediate Similarity NPC16270
0.75 Intermediate Similarity NPC146786
0.75 Intermediate Similarity NPC29133
0.75 Intermediate Similarity NPC38830
0.75 Intermediate Similarity NPC32577
0.75 Intermediate Similarity NPC155332
0.75 Intermediate Similarity NPC114540
0.75 Intermediate Similarity NPC308351
0.75 Intermediate Similarity NPC473431
0.75 Intermediate Similarity NPC470420
0.75 Intermediate Similarity NPC473627
0.75 Intermediate Similarity NPC271266
0.75 Intermediate Similarity NPC113448
0.75 Intermediate Similarity NPC473280
0.75 Intermediate Similarity NPC471078
0.75 Intermediate Similarity NPC473435
0.7481 Intermediate Similarity NPC34963
0.7479 Intermediate Similarity NPC322903
0.7479 Intermediate Similarity NPC220155
0.7478 Intermediate Similarity NPC474012
0.7478 Intermediate Similarity NPC475202
0.7478 Intermediate Similarity NPC475385
0.7478 Intermediate Similarity NPC476299
0.7478 Intermediate Similarity NPC475392
0.7478 Intermediate Similarity NPC470906
0.7477 Intermediate Similarity NPC49420
0.7462 Intermediate Similarity NPC476966
0.7462 Intermediate Similarity NPC221414
0.7462 Intermediate Similarity NPC35109
0.7459 Intermediate Similarity NPC25909
0.7459 Intermediate Similarity NPC472926
0.7458 Intermediate Similarity NPC266570
0.7458 Intermediate Similarity NPC470267
0.7456 Intermediate Similarity NPC23680
0.7456 Intermediate Similarity NPC292133
0.7455 Intermediate Similarity NPC177141
0.7442 Intermediate Similarity NPC473253
0.7442 Intermediate Similarity NPC156797
0.744 Intermediate Similarity NPC42673
0.7438 Intermediate Similarity NPC470961
0.7436 Intermediate Similarity NPC112009
0.7436 Intermediate Similarity NPC297617
0.7436 Intermediate Similarity NPC476889
0.7434 Intermediate Similarity NPC281134
0.7434 Intermediate Similarity NPC476519
0.7424 Intermediate Similarity NPC469673
0.7419 Intermediate Similarity NPC472927
0.7414 Intermediate Similarity NPC476888
0.7414 Intermediate Similarity NPC93744
0.7411 Intermediate Similarity NPC79117
0.7405 Intermediate Similarity NPC241935
0.7405 Intermediate Similarity NPC196921
0.7405 Intermediate Similarity NPC279478
0.7405 Intermediate Similarity NPC220757
0.7398 Intermediate Similarity NPC470953
0.7398 Intermediate Similarity NPC238667
0.7395 Intermediate Similarity NPC330011
0.7395 Intermediate Similarity NPC473284
0.7395 Intermediate Similarity NPC471601
0.7395 Intermediate Similarity NPC220974
0.7395 Intermediate Similarity NPC44063
0.7395 Intermediate Similarity NPC329048
0.7391 Intermediate Similarity NPC176845
0.7391 Intermediate Similarity NPC275439
0.7391 Intermediate Similarity NPC112753
0.7385 Intermediate Similarity NPC473620
0.7381 Intermediate Similarity NPC251226
0.7381 Intermediate Similarity NPC154491
0.7381 Intermediate Similarity NPC268530
0.7377 Intermediate Similarity NPC71348
0.7377 Intermediate Similarity NPC285956
0.7377 Intermediate Similarity NPC471933
0.7368 Intermediate Similarity NPC122324
0.7368 Intermediate Similarity NPC106425
0.7368 Intermediate Similarity NPC151725
0.7368 Intermediate Similarity NPC476823
0.736 Intermediate Similarity NPC118638
0.7355 Intermediate Similarity NPC253906
0.7355 Intermediate Similarity NPC37116
0.7355 Intermediate Similarity NPC470496
0.735 Intermediate Similarity NPC476890
0.7348 Intermediate Similarity NPC476193
0.7345 Intermediate Similarity NPC476596
0.7344 Intermediate Similarity NPC6193
0.7339 Intermediate Similarity NPC270478
0.7339 Intermediate Similarity NPC270958

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC470495 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8305 Intermediate Similarity NPD7115 Discovery
0.7583 Intermediate Similarity NPD6649 Approved
0.7583 Intermediate Similarity NPD6650 Approved
0.7479 Intermediate Similarity NPD6881 Approved
0.7479 Intermediate Similarity NPD6899 Approved
0.7438 Intermediate Similarity NPD8130 Phase 1
0.7417 Intermediate Similarity NPD6372 Approved
0.7417 Intermediate Similarity NPD6373 Approved
0.7395 Intermediate Similarity NPD5697 Approved
0.7377 Intermediate Similarity NPD8297 Approved
0.7364 Intermediate Similarity NPD6672 Approved
0.7364 Intermediate Similarity NPD5737 Approved
0.7355 Intermediate Similarity NPD6883 Approved
0.7355 Intermediate Similarity NPD7290 Approved
0.7355 Intermediate Similarity NPD7102 Approved
0.7321 Intermediate Similarity NPD5693 Phase 1
0.7311 Intermediate Similarity NPD5739 Approved
0.7311 Intermediate Similarity NPD6675 Approved
0.7311 Intermediate Similarity NPD7128 Approved
0.7311 Intermediate Similarity NPD6402 Approved
0.7295 Intermediate Similarity NPD6847 Approved
0.7295 Intermediate Similarity NPD6869 Approved
0.7295 Intermediate Similarity NPD6617 Approved
0.7273 Intermediate Similarity NPD6014 Approved
0.7273 Intermediate Similarity NPD6012 Approved
0.7273 Intermediate Similarity NPD6013 Approved
0.7236 Intermediate Similarity NPD6882 Approved
0.7193 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD7900 Approved
0.719 Intermediate Similarity NPD7320 Approved
0.719 Intermediate Similarity NPD6011 Approved
0.7167 Intermediate Similarity NPD6008 Approved
0.7155 Intermediate Similarity NPD6084 Phase 2
0.7155 Intermediate Similarity NPD6083 Phase 2
0.7143 Intermediate Similarity NPD6904 Approved
0.7143 Intermediate Similarity NPD6080 Approved
0.7143 Intermediate Similarity NPD6673 Approved
0.713 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD5701 Approved
0.7105 Intermediate Similarity NPD6399 Phase 3
0.7094 Intermediate Similarity NPD5696 Approved
0.7091 Intermediate Similarity NPD1694 Approved
0.7009 Intermediate Similarity NPD7902 Approved
0.6992 Remote Similarity NPD7736 Approved
0.6983 Remote Similarity NPD5695 Phase 3
0.6977 Remote Similarity NPD6319 Approved
0.6967 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6917 Remote Similarity NPD5211 Phase 2
0.6903 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6899 Remote Similarity NPD7101 Approved
0.6899 Remote Similarity NPD7100 Approved
0.6897 Remote Similarity NPD7748 Approved
0.6894 Remote Similarity NPD7492 Approved
0.6891 Remote Similarity NPD4696 Approved
0.6891 Remote Similarity NPD5285 Approved
0.6891 Remote Similarity NPD5286 Approved
0.688 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6875 Remote Similarity NPD7146 Approved
0.6875 Remote Similarity NPD6098 Approved
0.6875 Remote Similarity NPD5330 Approved
0.6875 Remote Similarity NPD6684 Approved
0.6875 Remote Similarity NPD7521 Approved
0.6875 Remote Similarity NPD6409 Approved
0.6875 Remote Similarity NPD7334 Approved
0.687 Remote Similarity NPD5694 Approved
0.687 Remote Similarity NPD6050 Approved
0.6846 Remote Similarity NPD6054 Approved
0.6842 Remote Similarity NPD6616 Approved
0.6822 Remote Similarity NPD6335 Approved
0.6814 Remote Similarity NPD3573 Approved
0.6807 Remote Similarity NPD4225 Approved
0.6807 Remote Similarity NPD7638 Approved
0.6803 Remote Similarity NPD5141 Approved
0.68 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6797 Remote Similarity NPD6274 Approved
0.6797 Remote Similarity NPD6868 Approved
0.6791 Remote Similarity NPD7078 Approved
0.6783 Remote Similarity NPD5692 Phase 3
0.678 Remote Similarity NPD5221 Approved
0.678 Remote Similarity NPD4697 Phase 3
0.678 Remote Similarity NPD5222 Approved
0.678 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6777 Remote Similarity NPD5225 Approved
0.6777 Remote Similarity NPD4633 Approved
0.6777 Remote Similarity NPD5226 Approved
0.6777 Remote Similarity NPD5224 Approved
0.6754 Remote Similarity NPD6903 Approved
0.6752 Remote Similarity NPD6001 Approved
0.675 Remote Similarity NPD7640 Approved
0.675 Remote Similarity NPD7639 Approved
0.6744 Remote Similarity NPD6317 Approved
0.6742 Remote Similarity NPD6370 Approved
0.6726 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6724 Remote Similarity NPD6079 Approved
0.6724 Remote Similarity NPD8034 Phase 2
0.6724 Remote Similarity NPD8035 Phase 2
0.6723 Remote Similarity NPD5173 Approved
0.6723 Remote Similarity NPD4755 Approved
0.6721 Remote Similarity NPD5175 Approved
0.6721 Remote Similarity NPD5174 Approved
0.6695 Remote Similarity NPD4629 Approved
0.6695 Remote Similarity NPD5210 Approved
0.6694 Remote Similarity NPD5223 Approved
0.6694 Remote Similarity NPD6614 Approved
0.6692 Remote Similarity NPD6314 Approved
0.6692 Remote Similarity NPD7604 Phase 2
0.6692 Remote Similarity NPD6313 Approved
0.6667 Remote Similarity NPD4634 Approved
0.6667 Remote Similarity NPD6016 Approved
0.6667 Remote Similarity NPD8293 Discontinued
0.6667 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6015 Approved
0.6641 Remote Similarity NPD4632 Approved
0.6617 Remote Similarity NPD5988 Approved
0.6615 Remote Similarity NPD6009 Approved
0.6612 Remote Similarity NPD4700 Approved
0.6591 Remote Similarity NPD6059 Approved
0.6587 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6583 Remote Similarity NPD5959 Approved
0.6581 Remote Similarity NPD7515 Phase 2
0.6579 Remote Similarity NPD3618 Phase 1
0.6555 Remote Similarity NPD5654 Approved
0.6552 Remote Similarity NPD4753 Phase 2
0.6552 Remote Similarity NPD5328 Approved
0.6552 Remote Similarity NPD6051 Approved
0.6541 Remote Similarity NPD5983 Phase 2
0.6541 Remote Similarity NPD6909 Approved
0.6541 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6541 Remote Similarity NPD6908 Approved
0.6508 Remote Similarity NPD4730 Approved
0.6508 Remote Similarity NPD4729 Approved
0.6508 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6496 Remote Similarity NPD5785 Approved
0.6496 Remote Similarity NPD5207 Approved
0.6471 Remote Similarity NPD6336 Discontinued
0.6466 Remote Similarity NPD5208 Approved
0.6449 Remote Similarity NPD7319 Approved
0.6444 Remote Similarity NPD8328 Phase 3
0.6406 Remote Similarity NPD5250 Approved
0.6406 Remote Similarity NPD5247 Approved
0.6406 Remote Similarity NPD5248 Approved
0.6406 Remote Similarity NPD5249 Phase 3
0.6406 Remote Similarity NPD5251 Approved
0.6404 Remote Similarity NPD4786 Approved
0.6387 Remote Similarity NPD4202 Approved
0.6378 Remote Similarity NPD5128 Approved
0.6371 Remote Similarity NPD7632 Discontinued
0.6357 Remote Similarity NPD5217 Approved
0.6357 Remote Similarity NPD5215 Approved
0.6357 Remote Similarity NPD5216 Approved
0.635 Remote Similarity NPD7507 Approved
0.6349 Remote Similarity NPD4767 Approved
0.6349 Remote Similarity NPD4768 Approved
0.6348 Remote Similarity NPD5329 Approved
0.6333 Remote Similarity NPD7236 Approved
0.632 Remote Similarity NPD4754 Approved
0.6308 Remote Similarity NPD6053 Discontinued
0.6303 Remote Similarity NPD5284 Approved
0.6303 Remote Similarity NPD5281 Approved
0.6296 Remote Similarity NPD7503 Approved
0.6293 Remote Similarity NPD5690 Phase 2
0.6279 Remote Similarity NPD5169 Approved
0.6279 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6279 Remote Similarity NPD5135 Approved
0.6271 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6261 Remote Similarity NPD3668 Phase 3
0.6261 Remote Similarity NPD4197 Approved
0.625 Remote Similarity NPD5168 Approved
0.6241 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6231 Remote Similarity NPD5127 Approved
0.6228 Remote Similarity NPD3667 Approved
0.6207 Remote Similarity NPD7520 Clinical (unspecified phase)
0.619 Remote Similarity NPD6052 Approved
0.6181 Remote Similarity NPD7961 Discontinued
0.6176 Remote Similarity NPD8033 Approved
0.6172 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6167 Remote Similarity NPD6411 Approved
0.6167 Remote Similarity NPD7637 Suspended
0.6154 Remote Similarity NPD6371 Approved
0.6154 Remote Similarity NPD5279 Phase 3
0.6148 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6143 Remote Similarity NPD6033 Approved
0.6129 Remote Similarity NPD7239 Suspended
0.6127 Remote Similarity NPD7260 Phase 2
0.6124 Remote Similarity NPD6686 Approved
0.6121 Remote Similarity NPD3665 Phase 1
0.6121 Remote Similarity NPD3133 Approved
0.6121 Remote Similarity NPD3666 Approved
0.6103 Remote Similarity NPD8377 Approved
0.6103 Remote Similarity NPD8294 Approved
0.6098 Remote Similarity NPD7732 Phase 3
0.609 Remote Similarity NPD5167 Approved
0.6087 Remote Similarity NPD4223 Phase 3
0.6087 Remote Similarity NPD5209 Approved
0.6087 Remote Similarity NPD4221 Approved
0.6077 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6074 Remote Similarity NPD7328 Approved
0.6074 Remote Similarity NPD7327 Approved
0.6068 Remote Similarity NPD5363 Approved
0.6058 Remote Similarity NPD8378 Approved

Structure

External Identifiers

PubChem CID   66572431
ChEMBL   CHEMBL2047419
ZINC  

Physicochemical Properties

Molecular Weight:  582.34
ALogP:  4.064
MLogP:  4.43
XLogP:  6.429
# Rotatable Bonds:  15
Polar Surface Area:  82.2
# H-Bond Aceptor:  6
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  41

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs