Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO26429 | Capsella bursa-pastoris | Species | Brassicaceae | Eukaryota | TCMID* |
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 NPC189178 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 | NPC263065 |
0.8846 | High Similarity | NPC322573 |
0.8421 | Intermediate Similarity | NPC327252 |
0.8393 | Intermediate Similarity | NPC143722 |
0.8333 | Intermediate Similarity | NPC325985 |
0.8333 | Intermediate Similarity | NPC38463 |
0.8269 | Intermediate Similarity | NPC29950 |
0.8269 | Intermediate Similarity | NPC19576 |
0.8077 | Intermediate Similarity | NPC273330 |
0.8077 | Intermediate Similarity | NPC137958 |
0.7925 | Intermediate Similarity | NPC322946 |
0.7895 | Intermediate Similarity | NPC321536 |
0.7818 | Intermediate Similarity | NPC2801 |
0.7778 | Intermediate Similarity | NPC197087 |
0.7778 | Intermediate Similarity | NPC190184 |
0.7736 | Intermediate Similarity | NPC327239 |
0.7377 | Intermediate Similarity | NPC289691 |
0.7358 | Intermediate Similarity | NPC227850 |
0.7258 | Intermediate Similarity | NPC174304 |
0.7258 | Intermediate Similarity | NPC325597 |
0.7241 | Intermediate Similarity | NPC317147 |
0.7241 | Intermediate Similarity | NPC318260 |
0.7119 | Intermediate Similarity | NPC176164 |
0.7119 | Intermediate Similarity | NPC189301 |
0.7115 | Intermediate Similarity | NPC118459 |
0.7115 | Intermediate Similarity | NPC327698 |
0.7 | Intermediate Similarity | NPC321468 |
0.7 | Intermediate Similarity | NPC316826 |
0.7 | Intermediate Similarity | NPC254541 |
0.7 | Intermediate Similarity | NPC317143 |
0.7 | Intermediate Similarity | NPC327748 |
0.6923 | Remote Similarity | NPC319046 |
0.6909 | Remote Similarity | NPC328378 |
0.6885 | Remote Similarity | NPC327170 |
0.6885 | Remote Similarity | NPC329564 |
0.6875 | Remote Similarity | NPC325534 |
0.6818 | Remote Similarity | NPC126779 |
0.6721 | Remote Similarity | NPC320598 |
0.6667 | Remote Similarity | NPC248970 |
0.6667 | Remote Similarity | NPC297220 |
0.6667 | Remote Similarity | NPC306238 |
0.6607 | Remote Similarity | NPC43204 |
0.6607 | Remote Similarity | NPC84636 |
0.6607 | Remote Similarity | NPC245027 |
0.6607 | Remote Similarity | NPC174246 |
0.6607 | Remote Similarity | NPC62045 |
0.6607 | Remote Similarity | NPC162620 |
0.6607 | Remote Similarity | NPC226027 |
0.6562 | Remote Similarity | NPC88898 |
0.6562 | Remote Similarity | NPC106216 |
0.6515 | Remote Similarity | NPC118524 |
0.6481 | Remote Similarity | NPC329263 |
0.6471 | Remote Similarity | NPC327250 |
0.6462 | Remote Similarity | NPC50047 |
0.6441 | Remote Similarity | NPC321118 |
0.6441 | Remote Similarity | NPC316889 |
0.6429 | Remote Similarity | NPC93081 |
0.6429 | Remote Similarity | NPC140872 |
0.6389 | Remote Similarity | NPC59867 |
0.6346 | Remote Similarity | NPC326992 |
0.6346 | Remote Similarity | NPC168375 |
0.6346 | Remote Similarity | NPC121517 |
0.6333 | Remote Similarity | NPC327831 |
0.6316 | Remote Similarity | NPC316231 |
0.6316 | Remote Similarity | NPC112890 |
0.6316 | Remote Similarity | NPC324825 |
0.6308 | Remote Similarity | NPC145658 |
0.6269 | Remote Similarity | NPC188231 |
0.6269 | Remote Similarity | NPC222327 |
0.625 | Remote Similarity | NPC260324 |
0.625 | Remote Similarity | NPC477644 |
0.625 | Remote Similarity | NPC125575 |
0.623 | Remote Similarity | NPC313263 |
0.6207 | Remote Similarity | NPC319110 |
0.6207 | Remote Similarity | NPC329181 |
0.619 | Remote Similarity | NPC473599 |
0.6167 | Remote Similarity | NPC183845 |
0.6167 | Remote Similarity | NPC279661 |
0.614 | Remote Similarity | NPC153370 |
0.6129 | Remote Similarity | NPC278209 |
0.6119 | Remote Similarity | NPC470108 |
0.6111 | Remote Similarity | NPC291186 |
0.6111 | Remote Similarity | NPC167986 |
0.6094 | Remote Similarity | NPC68974 |
0.6078 | Remote Similarity | NPC206924 |
0.6061 | Remote Similarity | NPC57420 |
0.6056 | Remote Similarity | NPC315897 |
0.6053 | Remote Similarity | NPC475542 |
0.6029 | Remote Similarity | NPC470109 |
0.6026 | Remote Similarity | NPC145748 |
0.6026 | Remote Similarity | NPC155670 |
0.6026 | Remote Similarity | NPC95478 |
0.6 | Remote Similarity | NPC329495 |
0.6 | Remote Similarity | NPC132307 |
0.6 | Remote Similarity | NPC325097 |
0.6 | Remote Similarity | NPC477642 |
0.6 | Remote Similarity | NPC478256 |
0.6 | Remote Similarity | NPC126925 |
0.5962 | Remote Similarity | NPC18188 |
0.5962 | Remote Similarity | NPC325454 |
0.5949 | Remote Similarity | NPC227051 |
0.5942 | Remote Similarity | NPC81647 |
0.5942 | Remote Similarity | NPC470110 |
0.5882 | Remote Similarity | NPC229838 |
0.5867 | Remote Similarity | NPC316242 |
0.5846 | Remote Similarity | NPC321419 |
0.5833 | Remote Similarity | NPC155156 |
0.5833 | Remote Similarity | NPC477643 |
0.5833 | Remote Similarity | NPC200550 |
0.5833 | Remote Similarity | NPC320865 |
0.5833 | Remote Similarity | NPC477641 |
0.5821 | Remote Similarity | NPC282178 |
0.5818 | Remote Similarity | NPC276294 |
0.5789 | Remote Similarity | NPC478017 |
0.5789 | Remote Similarity | NPC315535 |
0.5789 | Remote Similarity | NPC315131 |
0.5781 | Remote Similarity | NPC245346 |
0.5781 | Remote Similarity | NPC302003 |
0.5781 | Remote Similarity | NPC11433 |
0.5781 | Remote Similarity | NPC190385 |
0.5775 | Remote Similarity | NPC476291 |
0.5775 | Remote Similarity | NPC476285 |
0.5769 | Remote Similarity | NPC84128 |
0.5769 | Remote Similarity | NPC53858 |
0.5769 | Remote Similarity | NPC69179 |
0.5763 | Remote Similarity | NPC80350 |
0.5758 | Remote Similarity | NPC118429 |
0.5741 | Remote Similarity | NPC66043 |
0.5741 | Remote Similarity | NPC53449 |
0.5738 | Remote Similarity | NPC274499 |
0.5738 | Remote Similarity | NPC333075 |
0.5738 | Remote Similarity | NPC8488 |
0.5733 | Remote Similarity | NPC472594 |
0.5714 | Remote Similarity | NPC323974 |
0.5714 | Remote Similarity | NPC198301 |
0.5714 | Remote Similarity | NPC43264 |
0.5694 | Remote Similarity | NPC328457 |
0.5692 | Remote Similarity | NPC276928 |
0.5692 | Remote Similarity | NPC268927 |
0.5692 | Remote Similarity | NPC64250 |
0.569 | Remote Similarity | NPC101249 |
0.5667 | Remote Similarity | NPC198398 |
0.5667 | Remote Similarity | NPC27359 |
0.5667 | Remote Similarity | NPC295832 |
0.5667 | Remote Similarity | NPC319175 |
0.5667 | Remote Similarity | NPC315977 |
0.5658 | Remote Similarity | NPC314680 |
0.5634 | Remote Similarity | NPC472579 |
0.5634 | Remote Similarity | NPC474299 |
0.5634 | Remote Similarity | NPC28348 |
0.5634 | Remote Similarity | NPC474298 |
0.5634 | Remote Similarity | NPC473985 |
0.5634 | Remote Similarity | NPC475808 |
0.5625 | Remote Similarity | NPC174368 |
0.5616 | Remote Similarity | NPC141325 |
0.5614 | Remote Similarity | NPC208793 |
0.5614 | Remote Similarity | NPC285322 |
0.5606 | Remote Similarity | NPC177191 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC189178 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 | NPD9205 | Approved |
1.0 | High Similarity | NPD9204 | Approved |
0.8571 | High Similarity | NPD574 | Approved |
0.8421 | Intermediate Similarity | NPD575 | Clinical (unspecified phase) |
0.8364 | Intermediate Similarity | NPD9433 | Approved |
0.8269 | Intermediate Similarity | NPD8847 | Approved |
0.8269 | Intermediate Similarity | NPD8846 | Approved |
0.8269 | Intermediate Similarity | NPD61 | Approved |
0.8077 | Intermediate Similarity | NPD8871 | Approved |
0.8077 | Intermediate Similarity | NPD8872 | Phase 3 |
0.7925 | Intermediate Similarity | NPD9441 | Phase 2 |
0.7778 | Intermediate Similarity | NPD8851 | Phase 1 |
0.7778 | Intermediate Similarity | NPD8785 | Approved |
0.7581 | Intermediate Similarity | NPD1429 | Clinical (unspecified phase) |
0.7302 | Intermediate Similarity | NPD886 | Clinical (unspecified phase) |
0.7258 | Intermediate Similarity | NPD348 | Approved |
0.6923 | Remote Similarity | NPD4241 | Registered |
0.6923 | Remote Similarity | NPD337 | Discontinued |
0.6875 | Remote Similarity | NPD8952 | Approved |
0.6866 | Remote Similarity | NPD2262 | Clinical (unspecified phase) |
0.6818 | Remote Similarity | NPD4242 | Approved |
0.6792 | Remote Similarity | NPD9658 | Clinical (unspecified phase) |
0.6765 | Remote Similarity | NPD6944 | Clinical (unspecified phase) |
0.6761 | Remote Similarity | NPD3160 | Suspended |
0.6667 | Remote Similarity | NPD8870 | Approved |
0.6607 | Remote Similarity | NPD9016 | Clinical (unspecified phase) |
0.6607 | Remote Similarity | NPD9018 | Approved |
0.6607 | Remote Similarity | NPD9017 | Approved |
0.6522 | Remote Similarity | NPD1147 | Phase 2 |
0.6491 | Remote Similarity | NPD329 | Discontinued |
0.6441 | Remote Similarity | NPD9419 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD8809 | Approved |
0.6429 | Remote Similarity | NPD8808 | Approved |
0.6316 | Remote Similarity | NPD9044 | Approved |
0.6269 | Remote Similarity | NPD9421 | Phase 1 |
0.6184 | Remote Similarity | NPD1125 | Discovery |
0.614 | Remote Similarity | NPD8614 | Approved |
0.614 | Remote Similarity | NPD9214 | Phase 3 |
0.614 | Remote Similarity | NPD9213 | Approved |
0.6111 | Remote Similarity | NPD8805 | Approved |
0.6111 | Remote Similarity | NPD8804 | Approved |
0.6104 | Remote Similarity | NPD7643 | Phase 1 |
0.6056 | Remote Similarity | NPD1825 | Clinical (unspecified phase) |
0.6029 | Remote Similarity | NPD2263 | Discontinued |
0.6 | Remote Similarity | NPD8869 | Approved |
0.6 | Remote Similarity | NPD8798 | Approved |
0.5962 | Remote Similarity | NPD8623 | Phase 1 |
0.5942 | Remote Similarity | NPD9451 | Clinical (unspecified phase) |
0.5915 | Remote Similarity | NPD9446 | Approved |
0.5857 | Remote Similarity | NPD3724 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD2256 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD8971 | Approved |
0.5789 | Remote Similarity | NPD7918 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD8801 | Approved |
0.5789 | Remote Similarity | NPD7917 | Clinical (unspecified phase) |
0.5781 | Remote Similarity | NPD9023 | Clinical (unspecified phase) |
0.5781 | Remote Similarity | NPD8865 | Approved |
0.5769 | Remote Similarity | NPD1448 | Clinical (unspecified phase) |
0.5763 | Remote Similarity | NPD8947 | Approved |
0.5763 | Remote Similarity | NPD8946 | Approved |
0.5758 | Remote Similarity | NPD9014 | Approved |
0.5753 | Remote Similarity | NPD9109 | Discontinued |
0.5753 | Remote Similarity | NPD366 | Approved |
0.5738 | Remote Similarity | NPD9386 | Approved |
0.5738 | Remote Similarity | NPD9420 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD9019 | Approved |
0.569 | Remote Similarity | NPD8850 | Approved |
0.569 | Remote Similarity | NPD8866 | Approved |
0.569 | Remote Similarity | NPD8867 | Approved |
0.5679 | Remote Similarity | NPD619 | Phase 3 |
0.5667 | Remote Similarity | NPD9226 | Approved |
0.5667 | Remote Similarity | NPD9225 | Phase 3 |
0.5614 | Remote Similarity | NPD8610 | Approved |
PubChem CID   | 185 |
ChEMBL   | CHEMBL2142890 |
ZINC   |
Molecular Weight:   | 189.06 |
ALogP:   | -0.9616 |
MLogP:   | 1.57 |
XLogP:   | -0.727 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 107.19 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 3 |
# Rings:   | 0 |
# Heavy Atoms:   | 13 |