Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO25424 | Putterlickia verrucosa | Species | Celastraceae | Eukaryota | UNPD* | |||
NPO5786 | Desmodium oxyphyllum | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO6513 | Vernonia condensata | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO2777 | Cirsium brevistylum | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO3729 | Cetraria islandica | Species | Parmeliaceae | Eukaryota | UNPD* | |||
NPO4633 | Calypogeia integristipula | Species | Calypogeiaceae | Eukaryota | UNPD* | |||
NPO27 | Gentiana dahurica | Species | Gentianaceae | Eukaryota | UNPD* |
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 NPC144419 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 |
---|---|---|
0.88 | High Similarity | NPC47653 |
0.8378 | Intermediate Similarity | NPC469414 |
0.8378 | Intermediate Similarity | NPC329826 |
0.8219 | Intermediate Similarity | NPC84038 |
0.8148 | Intermediate Similarity | NPC469483 |
0.8108 | Intermediate Similarity | NPC474705 |
0.8056 | Intermediate Similarity | NPC218477 |
0.7901 | Intermediate Similarity | NPC163093 |
0.7875 | Intermediate Similarity | NPC473780 |
0.7875 | Intermediate Similarity | NPC65930 |
0.7875 | Intermediate Similarity | NPC94875 |
0.7875 | Intermediate Similarity | NPC475159 |
0.7875 | Intermediate Similarity | NPC11332 |
0.7875 | Intermediate Similarity | NPC73310 |
0.7875 | Intermediate Similarity | NPC329829 |
0.7875 | Intermediate Similarity | NPC180363 |
0.7875 | Intermediate Similarity | NPC145914 |
0.7875 | Intermediate Similarity | NPC473712 |
0.7875 | Intermediate Similarity | NPC473529 |
0.7875 | Intermediate Similarity | NPC131002 |
0.7821 | Intermediate Similarity | NPC93763 |
0.7821 | Intermediate Similarity | NPC108816 |
0.7805 | Intermediate Similarity | NPC470755 |
0.7805 | Intermediate Similarity | NPC477013 |
0.7805 | Intermediate Similarity | NPC477014 |
0.7805 | Intermediate Similarity | NPC120398 |
0.7805 | Intermediate Similarity | NPC471567 |
0.7792 | Intermediate Similarity | NPC256640 |
0.7792 | Intermediate Similarity | NPC16279 |
0.7792 | Intermediate Similarity | NPC205615 |
0.7778 | Intermediate Similarity | NPC475947 |
0.7778 | Intermediate Similarity | NPC144415 |
0.7778 | Intermediate Similarity | NPC253801 |
0.7763 | Intermediate Similarity | NPC227396 |
0.7763 | Intermediate Similarity | NPC177030 |
0.7733 | Intermediate Similarity | NPC186531 |
0.7711 | Intermediate Similarity | NPC261721 |
0.7711 | Intermediate Similarity | NPC477015 |
0.7683 | Intermediate Similarity | NPC156804 |
0.7683 | Intermediate Similarity | NPC31086 |
0.7683 | Intermediate Similarity | NPC158756 |
0.7662 | Intermediate Similarity | NPC260396 |
0.7654 | Intermediate Similarity | NPC85772 |
0.7647 | Intermediate Similarity | NPC14901 |
0.7647 | Intermediate Similarity | NPC130359 |
0.7639 | Intermediate Similarity | NPC282760 |
0.7619 | Intermediate Similarity | NPC72513 |
0.7619 | Intermediate Similarity | NPC178215 |
0.7606 | Intermediate Similarity | NPC68110 |
0.76 | Intermediate Similarity | NPC475113 |
0.76 | Intermediate Similarity | NPC299932 |
0.76 | Intermediate Similarity | NPC67183 |
0.7595 | Intermediate Similarity | NPC102065 |
0.7595 | Intermediate Similarity | NPC315765 |
0.7595 | Intermediate Similarity | NPC85743 |
0.759 | Intermediate Similarity | NPC39167 |
0.759 | Intermediate Similarity | NPC9678 |
0.759 | Intermediate Similarity | NPC292809 |
0.759 | Intermediate Similarity | NPC182383 |
0.759 | Intermediate Similarity | NPC473671 |
0.759 | Intermediate Similarity | NPC223871 |
0.759 | Intermediate Similarity | NPC103284 |
0.759 | Intermediate Similarity | NPC202055 |
0.759 | Intermediate Similarity | NPC110710 |
0.759 | Intermediate Similarity | NPC475268 |
0.759 | Intermediate Similarity | NPC231009 |
0.759 | Intermediate Similarity | NPC283085 |
0.759 | Intermediate Similarity | NPC77871 |
0.759 | Intermediate Similarity | NPC132496 |
0.759 | Intermediate Similarity | NPC66346 |
0.759 | Intermediate Similarity | NPC68303 |
0.759 | Intermediate Similarity | NPC329615 |
0.759 | Intermediate Similarity | NPC473651 |
0.759 | Intermediate Similarity | NPC107986 |
0.759 | Intermediate Similarity | NPC473478 |
0.759 | Intermediate Similarity | NPC307126 |
0.759 | Intermediate Similarity | NPC473156 |
0.759 | Intermediate Similarity | NPC477018 |
0.759 | Intermediate Similarity | NPC82795 |
0.759 | Intermediate Similarity | NPC100921 |
0.759 | Intermediate Similarity | NPC39279 |
0.759 | Intermediate Similarity | NPC286338 |
0.759 | Intermediate Similarity | NPC261380 |
0.759 | Intermediate Similarity | NPC235809 |
0.759 | Intermediate Similarity | NPC319036 |
0.759 | Intermediate Similarity | NPC470400 |
0.759 | Intermediate Similarity | NPC473669 |
0.759 | Intermediate Similarity | NPC329838 |
0.759 | Intermediate Similarity | NPC25764 |
0.759 | Intermediate Similarity | NPC1083 |
0.759 | Intermediate Similarity | NPC322529 |
0.7564 | Intermediate Similarity | NPC238554 |
0.7564 | Intermediate Similarity | NPC225022 |
0.7561 | Intermediate Similarity | NPC229799 |
0.7561 | Intermediate Similarity | NPC169575 |
0.7561 | Intermediate Similarity | NPC286770 |
0.7561 | Intermediate Similarity | NPC40746 |
0.7561 | Intermediate Similarity | NPC284472 |
0.7558 | Intermediate Similarity | NPC473448 |
0.7534 | Intermediate Similarity | NPC248125 |
0.7531 | Intermediate Similarity | NPC325031 |
0.7531 | Intermediate Similarity | NPC471325 |
0.7529 | Intermediate Similarity | NPC89001 |
0.7529 | Intermediate Similarity | NPC233551 |
0.7529 | Intermediate Similarity | NPC20339 |
0.7529 | Intermediate Similarity | NPC48338 |
0.7529 | Intermediate Similarity | NPC21208 |
0.7529 | Intermediate Similarity | NPC40376 |
0.7529 | Intermediate Similarity | NPC320458 |
0.7529 | Intermediate Similarity | NPC280621 |
0.7529 | Intermediate Similarity | NPC475819 |
0.7529 | Intermediate Similarity | NPC473905 |
0.7529 | Intermediate Similarity | NPC476805 |
0.75 | Intermediate Similarity | NPC134807 |
0.75 | Intermediate Similarity | NPC132940 |
0.75 | Intermediate Similarity | NPC114694 |
0.75 | Intermediate Similarity | NPC142117 |
0.75 | Intermediate Similarity | NPC62118 |
0.75 | Intermediate Similarity | NPC469910 |
0.75 | Intermediate Similarity | NPC279267 |
0.75 | Intermediate Similarity | NPC171174 |
0.75 | Intermediate Similarity | NPC134885 |
0.75 | Intermediate Similarity | NPC477010 |
0.75 | Intermediate Similarity | NPC293136 |
0.75 | Intermediate Similarity | NPC475461 |
0.75 | Intermediate Similarity | NPC241360 |
0.75 | Intermediate Similarity | NPC25703 |
0.75 | Intermediate Similarity | NPC240695 |
0.75 | Intermediate Similarity | NPC473840 |
0.75 | Intermediate Similarity | NPC219652 |
0.75 | Intermediate Similarity | NPC103523 |
0.75 | Intermediate Similarity | NPC204686 |
0.75 | Intermediate Similarity | NPC308412 |
0.75 | Intermediate Similarity | NPC69082 |
0.75 | Intermediate Similarity | NPC305475 |
0.75 | Intermediate Similarity | NPC219498 |
0.75 | Intermediate Similarity | NPC47937 |
0.75 | Intermediate Similarity | NPC134865 |
0.75 | Intermediate Similarity | NPC107717 |
0.75 | Intermediate Similarity | NPC473687 |
0.75 | Intermediate Similarity | NPC232555 |
0.75 | Intermediate Similarity | NPC282815 |
0.75 | Intermediate Similarity | NPC469632 |
0.75 | Intermediate Similarity | NPC231096 |
0.75 | Intermediate Similarity | NPC19841 |
0.75 | Intermediate Similarity | NPC112685 |
0.75 | Intermediate Similarity | NPC210218 |
0.75 | Intermediate Similarity | NPC309211 |
0.75 | Intermediate Similarity | NPC475581 |
0.7471 | Intermediate Similarity | NPC6099 |
0.7471 | Intermediate Similarity | NPC114345 |
0.7471 | Intermediate Similarity | NPC472814 |
0.7471 | Intermediate Similarity | NPC303230 |
0.7471 | Intermediate Similarity | NPC177037 |
0.7468 | Intermediate Similarity | NPC125365 |
0.7468 | Intermediate Similarity | NPC474818 |
0.7468 | Intermediate Similarity | NPC7563 |
0.7468 | Intermediate Similarity | NPC176329 |
0.7468 | Intermediate Similarity | NPC51809 |
0.7468 | Intermediate Similarity | NPC49302 |
0.7468 | Intermediate Similarity | NPC116177 |
0.7468 | Intermediate Similarity | NPC24827 |
0.7468 | Intermediate Similarity | NPC320630 |
0.7468 | Intermediate Similarity | NPC228902 |
0.7467 | Intermediate Similarity | NPC494 |
0.7467 | Intermediate Similarity | NPC475004 |
0.7467 | Intermediate Similarity | NPC470436 |
0.7444 | Intermediate Similarity | NPC53844 |
0.7442 | Intermediate Similarity | NPC477017 |
0.7442 | Intermediate Similarity | NPC477016 |
0.7442 | Intermediate Similarity | NPC139418 |
0.7442 | Intermediate Similarity | NPC280612 |
0.7439 | Intermediate Similarity | NPC11383 |
0.7439 | Intermediate Similarity | NPC310450 |
0.7439 | Intermediate Similarity | NPC471296 |
0.7439 | Intermediate Similarity | NPC474959 |
0.7439 | Intermediate Similarity | NPC475046 |
0.7436 | Intermediate Similarity | NPC329852 |
0.7416 | Intermediate Similarity | NPC473334 |
0.7416 | Intermediate Similarity | NPC476487 |
0.7416 | Intermediate Similarity | NPC476488 |
0.7412 | Intermediate Similarity | NPC258068 |
0.7412 | Intermediate Similarity | NPC476583 |
0.7412 | Intermediate Similarity | NPC470401 |
0.7412 | Intermediate Similarity | NPC154097 |
0.7412 | Intermediate Similarity | NPC473649 |
0.7412 | Intermediate Similarity | NPC473995 |
0.7412 | Intermediate Similarity | NPC20533 |
0.7412 | Intermediate Similarity | NPC477012 |
0.7412 | Intermediate Similarity | NPC159750 |
0.7386 | Intermediate Similarity | NPC469692 |
0.7386 | Intermediate Similarity | NPC115021 |
0.7386 | Intermediate Similarity | NPC469645 |
0.7381 | Intermediate Similarity | NPC255307 |
0.7375 | Intermediate Similarity | NPC267231 |
0.7375 | Intermediate Similarity | NPC473471 |
0.7375 | Intermediate Similarity | NPC128276 |
0.7375 | Intermediate Similarity | NPC127526 |
0.7375 | Intermediate Similarity | NPC279214 |
0.7375 | Intermediate Similarity | NPC221095 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC144419 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 |
---|---|---|---|
0.7159 | Intermediate Similarity | NPD5785 | Approved |
0.7143 | Intermediate Similarity | NPD7154 | Phase 3 |
0.6977 | Remote Similarity | NPD5363 | Approved |
0.6966 | Remote Similarity | NPD6698 | Approved |
0.6966 | Remote Similarity | NPD46 | Approved |
0.6829 | Remote Similarity | NPD4756 | Discovery |
0.6824 | Remote Similarity | NPD4269 | Approved |
0.6824 | Remote Similarity | NPD4270 | Approved |
0.6786 | Remote Similarity | NPD4252 | Approved |
0.6786 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6744 | Remote Similarity | NPD5362 | Discontinued |
0.6705 | Remote Similarity | NPD5786 | Approved |
0.6703 | Remote Similarity | NPD7983 | Approved |
0.6667 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.663 | Remote Similarity | NPD5779 | Approved |
0.663 | Remote Similarity | NPD5778 | Approved |
0.6628 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6628 | Remote Similarity | NPD5209 | Approved |
0.6623 | Remote Similarity | NPD3704 | Approved |
0.6622 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6579 | Remote Similarity | NPD3197 | Phase 1 |
0.6548 | Remote Similarity | NPD4268 | Approved |
0.6548 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6548 | Remote Similarity | NPD4271 | Approved |
0.6512 | Remote Similarity | NPD5369 | Approved |
0.65 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.6494 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6479 | Remote Similarity | NPD3195 | Phase 2 |
0.6479 | Remote Similarity | NPD3196 | Approved |
0.6479 | Remote Similarity | NPD3730 | Approved |
0.6479 | Remote Similarity | NPD4266 | Approved |
0.6479 | Remote Similarity | NPD3728 | Approved |
0.6479 | Remote Similarity | NPD3194 | Approved |
0.6471 | Remote Similarity | NPD6371 | Approved |
0.6458 | Remote Similarity | NPD4225 | Approved |
0.6437 | Remote Similarity | NPD6435 | Approved |
0.6421 | Remote Similarity | NPD7839 | Suspended |
0.6404 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6395 | Remote Similarity | NPD4820 | Approved |
0.6395 | Remote Similarity | NPD4819 | Approved |
0.6395 | Remote Similarity | NPD4822 | Approved |
0.6395 | Remote Similarity | NPD4821 | Approved |
0.6386 | Remote Similarity | NPD8039 | Approved |
0.6338 | Remote Similarity | NPD3172 | Approved |
0.6329 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6304 | Remote Similarity | NPD6101 | Approved |
0.6304 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6304 | Remote Similarity | NPD5370 | Suspended |
0.6286 | Remote Similarity | NPD6927 | Phase 3 |
0.6275 | Remote Similarity | NPD6686 | Approved |
0.6264 | Remote Similarity | NPD4251 | Approved |
0.6264 | Remote Similarity | NPD4250 | Approved |
0.6237 | Remote Similarity | NPD7838 | Discovery |
0.6234 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.6224 | Remote Similarity | NPD7639 | Approved |
0.6224 | Remote Similarity | NPD7640 | Approved |
0.6222 | Remote Similarity | NPD1694 | Approved |
0.6207 | Remote Similarity | NPD5368 | Approved |
0.618 | Remote Similarity | NPD5331 | Approved |
0.618 | Remote Similarity | NPD5332 | Approved |
0.617 | Remote Similarity | NPD7637 | Suspended |
0.617 | Remote Similarity | NPD6411 | Approved |
0.617 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.6154 | Remote Similarity | NPD4249 | Approved |
0.6136 | Remote Similarity | NPD4790 | Discontinued |
0.6122 | Remote Similarity | NPD7638 | Approved |
0.6119 | Remote Similarity | NPD2699 | Approved |
0.6111 | Remote Similarity | NPD7115 | Discovery |
0.61 | Remote Similarity | NPD7632 | Discontinued |
0.6087 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.6076 | Remote Similarity | NPD7341 | Phase 2 |
0.6067 | Remote Similarity | NPD4800 | Clinical (unspecified phase) |
0.6058 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.6056 | Remote Similarity | NPD28 | Approved |
0.6056 | Remote Similarity | NPD29 | Approved |
0.6044 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6027 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD7331 | Phase 2 |
0.6 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.5977 | Remote Similarity | NPD3732 | Approved |
0.597 | Remote Similarity | NPD9411 | Phase 1 |
0.596 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5946 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.5921 | Remote Similarity | NPD69 | Approved |
0.5921 | Remote Similarity | NPD9119 | Approved |
0.5888 | Remote Similarity | NPD6053 | Discontinued |
0.5876 | Remote Similarity | NPD7748 | Approved |
0.5876 | Remote Similarity | NPD5282 | Discontinued |
0.5859 | Remote Similarity | NPD6084 | Phase 2 |
0.5859 | Remote Similarity | NPD6083 | Phase 2 |
0.5833 | Remote Similarity | NPD1376 | Discontinued |
0.5816 | Remote Similarity | NPD5695 | Phase 3 |
0.5806 | Remote Similarity | NPD6422 | Discontinued |
0.5806 | Remote Similarity | NPD7521 | Approved |
0.5806 | Remote Similarity | NPD6409 | Approved |
0.5806 | Remote Similarity | NPD6684 | Approved |
0.5806 | Remote Similarity | NPD7334 | Approved |
0.5806 | Remote Similarity | NPD7146 | Approved |
0.5806 | Remote Similarity | NPD5330 | Approved |
0.5802 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5794 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD9118 | Approved |
0.5789 | Remote Similarity | NPD1695 | Approved |
0.5775 | Remote Similarity | NPD3173 | Approved |
0.5773 | Remote Similarity | NPD6399 | Phase 3 |
0.5728 | Remote Similarity | NPD6647 | Phase 2 |
0.5714 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD6109 | Phase 1 |
0.57 | Remote Similarity | NPD7902 | Approved |
0.5686 | Remote Similarity | NPD5344 | Discontinued |
0.5684 | Remote Similarity | NPD6903 | Approved |
0.5684 | Remote Similarity | NPD5737 | Approved |
0.5684 | Remote Similarity | NPD6672 | Approved |
0.5684 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5672 | Remote Similarity | NPD2270 | Approved |
0.567 | Remote Similarity | NPD7515 | Phase 2 |
0.5644 | Remote Similarity | NPD5696 | Approved |
0.5641 | Remote Similarity | NPD3198 | Approved |
0.5634 | Remote Similarity | NPD5343 | Approved |
0.5634 | Remote Similarity | NPD622 | Approved |
0.5619 | Remote Similarity | NPD5739 | Approved |
0.5619 | Remote Similarity | NPD6402 | Approved |
0.5619 | Remote Similarity | NPD7128 | Approved |
0.5619 | Remote Similarity | NPD6675 | Approved |
0.5614 | Remote Similarity | NPD8516 | Approved |
0.5614 | Remote Similarity | NPD8517 | Approved |
0.5614 | Remote Similarity | NPD8513 | Phase 3 |
0.5614 | Remote Similarity | NPD8515 | Approved |
0.56 | Remote Similarity | NPD4228 | Discovery |
PubChem CID   | 21116528 |
ChEMBL   | CHEMBL3318191 |
ZINC   |
Molecular Weight:   | 324.23 |
ALogP:   | -3.0674 |
MLogP:   | 3.11 |
XLogP:   | 6.872 |
# Rotatable Bonds:   | 16 |
Polar Surface Area:   | 63.6 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 23 |