Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | DOI[10.1038/nbt.2488] |
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 NPC317691 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 |
---|---|---|
1.0 | High Similarity | NPC326808 |
1.0 | High Similarity | NPC254482 |
1.0 | High Similarity | NPC110533 |
0.9048 | High Similarity | NPC49952 |
0.9048 | High Similarity | NPC136476 |
0.8605 | High Similarity | NPC213876 |
0.8605 | High Similarity | NPC228932 |
0.8605 | High Similarity | NPC185755 |
0.8409 | Intermediate Similarity | NPC204364 |
0.8409 | Intermediate Similarity | NPC118187 |
0.8222 | Intermediate Similarity | NPC318523 |
0.8205 | Intermediate Similarity | NPC21290 |
0.8205 | Intermediate Similarity | NPC116709 |
0.8205 | Intermediate Similarity | NPC272614 |
0.8043 | Intermediate Similarity | NPC170739 |
0.8043 | Intermediate Similarity | NPC193989 |
0.8043 | Intermediate Similarity | NPC152451 |
0.8 | Intermediate Similarity | NPC63621 |
0.7955 | Intermediate Similarity | NPC191136 |
0.7872 | Intermediate Similarity | NPC319175 |
0.7872 | Intermediate Similarity | NPC125736 |
0.7872 | Intermediate Similarity | NPC114990 |
0.7551 | Intermediate Similarity | NPC317815 |
0.7442 | Intermediate Similarity | NPC121517 |
0.7442 | Intermediate Similarity | NPC326992 |
0.7442 | Intermediate Similarity | NPC326212 |
0.7442 | Intermediate Similarity | NPC53449 |
0.7442 | Intermediate Similarity | NPC168375 |
0.7442 | Intermediate Similarity | NPC237525 |
0.74 | Intermediate Similarity | NPC145235 |
0.7391 | Intermediate Similarity | NPC198196 |
0.7391 | Intermediate Similarity | NPC306238 |
0.7391 | Intermediate Similarity | NPC248970 |
0.7273 | Intermediate Similarity | NPC226265 |
0.7273 | Intermediate Similarity | NPC219143 |
0.7255 | Intermediate Similarity | NPC102815 |
0.7111 | Intermediate Similarity | NPC167986 |
0.7111 | Intermediate Similarity | NPC291186 |
0.7 | Intermediate Similarity | NPC114517 |
0.6981 | Remote Similarity | NPC82239 |
0.6981 | Remote Similarity | NPC283786 |
0.6957 | Remote Similarity | NPC325097 |
0.6957 | Remote Similarity | NPC126925 |
0.6957 | Remote Similarity | NPC132307 |
0.6957 | Remote Similarity | NPC198301 |
0.6842 | Remote Similarity | NPC126681 |
0.6809 | Remote Similarity | NPC327698 |
0.6809 | Remote Similarity | NPC329263 |
0.6809 | Remote Similarity | NPC118459 |
0.6809 | Remote Similarity | NPC285322 |
0.6809 | Remote Similarity | NPC208793 |
0.6667 | Remote Similarity | NPC66043 |
0.6667 | Remote Similarity | NPC309658 |
0.6667 | Remote Similarity | NPC297220 |
0.6607 | Remote Similarity | NPC321419 |
0.6579 | Remote Similarity | NPC320704 |
0.6552 | Remote Similarity | NPC289691 |
0.6531 | Remote Similarity | NPC181588 |
0.6531 | Remote Similarity | NPC136159 |
0.6531 | Remote Similarity | NPC316168 |
0.6512 | Remote Similarity | NPC9294 |
0.6441 | Remote Similarity | NPC174304 |
0.6441 | Remote Similarity | NPC325597 |
0.64 | Remote Similarity | NPC140872 |
0.64 | Remote Similarity | NPC93081 |
0.64 | Remote Similarity | NPC153370 |
0.6275 | Remote Similarity | NPC324825 |
0.6275 | Remote Similarity | NPC245027 |
0.6275 | Remote Similarity | NPC286989 |
0.6275 | Remote Similarity | NPC62045 |
0.6275 | Remote Similarity | NPC112890 |
0.6275 | Remote Similarity | NPC43204 |
0.6275 | Remote Similarity | NPC174246 |
0.6275 | Remote Similarity | NPC93888 |
0.6275 | Remote Similarity | NPC226027 |
0.6275 | Remote Similarity | NPC84636 |
0.6275 | Remote Similarity | NPC162620 |
0.6275 | Remote Similarity | NPC316231 |
0.6275 | Remote Similarity | NPC270805 |
0.6222 | Remote Similarity | NPC18188 |
0.6154 | Remote Similarity | NPC137958 |
0.6154 | Remote Similarity | NPC315977 |
0.6154 | Remote Similarity | NPC273330 |
0.6038 | Remote Similarity | NPC200550 |
0.6038 | Remote Similarity | NPC155156 |
0.5962 | Remote Similarity | NPC328378 |
0.5926 | Remote Similarity | NPC197087 |
0.5926 | Remote Similarity | NPC329495 |
0.5926 | Remote Similarity | NPC190184 |
0.5909 | Remote Similarity | NPC134570 |
0.5873 | Remote Similarity | NPC319046 |
0.5818 | Remote Similarity | NPC322091 |
0.5818 | Remote Similarity | NPC279661 |
0.5818 | Remote Similarity | NPC321118 |
0.5818 | Remote Similarity | NPC183845 |
0.5818 | Remote Similarity | NPC316889 |
0.5818 | Remote Similarity | NPC60672 |
0.5781 | Remote Similarity | NPC126779 |
0.5758 | Remote Similarity | NPC315897 |
0.5714 | Remote Similarity | NPC276294 |
0.5714 | Remote Similarity | NPC327831 |
0.5714 | Remote Similarity | NPC2801 |
0.5714 | Remote Similarity | NPC10915 |
0.5714 | Remote Similarity | NPC107645 |
0.5714 | Remote Similarity | NPC16947 |
0.5652 | Remote Similarity | NPC69179 |
0.5652 | Remote Similarity | NPC216443 |
0.5614 | Remote Similarity | NPC325985 |
0.5614 | Remote Similarity | NPC38463 |
0.56 | Remote Similarity | NPC323974 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC317691 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 |
---|---|---|---|
1.0 | High Similarity | NPD8214 | Approved |
1.0 | High Similarity | NPD8215 | Approved |
0.8605 | High Similarity | NPD8982 | Approved |
0.8222 | Intermediate Similarity | NPD8873 | Approved |
0.8205 | Intermediate Similarity | NPD8210 | Phase 3 |
0.8205 | Intermediate Similarity | NPD8211 | Approved |
0.8043 | Intermediate Similarity | NPD8802 | Approved |
0.8043 | Intermediate Similarity | NPD8803 | Clinical (unspecified phase) |
0.8043 | Intermediate Similarity | NPD9021 | Approved |
0.7872 | Intermediate Similarity | NPD9025 | Approved |
0.7778 | Intermediate Similarity | NPD8801 | Approved |
0.7551 | Intermediate Similarity | NPD8849 | Clinical (unspecified phase) |
0.7391 | Intermediate Similarity | NPD9020 | Approved |
0.7391 | Intermediate Similarity | NPD8870 | Approved |
0.7273 | Intermediate Similarity | NPD8216 | Approved |
0.7273 | Intermediate Similarity | NPD8217 | Clinical (unspecified phase) |
0.7111 | Intermediate Similarity | NPD8804 | Approved |
0.7111 | Intermediate Similarity | NPD8805 | Approved |
0.7083 | Intermediate Similarity | NPD9214 | Phase 3 |
0.7083 | Intermediate Similarity | NPD9213 | Approved |
0.6957 | Remote Similarity | NPD8798 | Approved |
0.6852 | Remote Similarity | NPD8848 | Approved |
0.6842 | Remote Similarity | NPD7371 | Approved |
0.6809 | Remote Similarity | NPD8610 | Approved |
0.6735 | Remote Similarity | NPD8577 | Discontinued |
0.6596 | Remote Similarity | NPD8869 | Approved |
0.6531 | Remote Similarity | NPD8209 | Phase 2 |
0.6531 | Remote Similarity | NPD8208 | Clinical (unspecified phase) |
0.6531 | Remote Similarity | NPD8810 | Clinical (unspecified phase) |
0.6471 | Remote Similarity | NPD329 | Discontinued |
0.6441 | Remote Similarity | NPD348 | Approved |
0.64 | Remote Similarity | NPD8808 | Approved |
0.64 | Remote Similarity | NPD8614 | Approved |
0.64 | Remote Similarity | NPD8809 | Approved |
0.6316 | Remote Similarity | NPD7367 | Approved |
0.6316 | Remote Similarity | NPD51 | Approved |
0.6316 | Remote Similarity | NPD7368 | Approved |
0.6275 | Remote Similarity | NPD9016 | Clinical (unspecified phase) |
0.6275 | Remote Similarity | NPD8624 | Approved |
0.6275 | Remote Similarity | NPD9044 | Approved |
0.6275 | Remote Similarity | NPD9018 | Approved |
0.6275 | Remote Similarity | NPD9017 | Approved |
0.6226 | Remote Similarity | NPD9420 | Clinical (unspecified phase) |
0.6222 | Remote Similarity | NPD8623 | Phase 1 |
0.617 | Remote Similarity | NPD8609 | Approved |
0.6154 | Remote Similarity | NPD8872 | Phase 3 |
0.6154 | Remote Similarity | NPD8871 | Approved |
0.5968 | Remote Similarity | NPD886 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD8851 | Phase 1 |
0.5926 | Remote Similarity | NPD8785 | Approved |
0.5873 | Remote Similarity | NPD4241 | Registered |
0.5873 | Remote Similarity | NPD9452 | Clinical (unspecified phase) |
0.5873 | Remote Similarity | NPD337 | Discontinued |
0.5781 | Remote Similarity | NPD4242 | Approved |
0.5763 | Remote Similarity | NPD902 | Approved |
0.5758 | Remote Similarity | NPD1825 | Clinical (unspecified phase) |
0.5636 | Remote Similarity | NPD9386 | Approved |
0.5606 | Remote Similarity | NPD2262 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD9019 | Approved |
PubChem CID   | 60960;60208009;11030077 |
ChEMBL   | CHEMBL1200630 |
ZINC   |
Molecular Weight:   | 121.02 |
ALogP:   | -0.6242 |
MLogP:   | 1.35 |
XLogP:   | -2.575 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 102.12 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 7 |