⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29167948 | 0.83 | — | — | |
| SCHEMBL9168323 | 0.81 | FOLH1 (0.34) | — | |
| SCHEMBL9168326 | 0.81 | FOLH1 (0.34) | — | |
| SCHEMBL20988011 | 0.76 | CA12 (0.34) | — | |
| SCHEMBL3507820 | 0.73 | — | — | |
| SCHEMBL24994916 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL6947522 | 0.70 | — | — | |
| SCHEMBL7715982 | 0.67 | TSHR (0.43) | — | |
| SCHEMBL2600786 | 0.67 | TSHR (0.38) | — | |
| SCHEMBL6678091 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111328711-A | Method for inducing pure female industrial cannabis sativa | 黑龙江省农业科学院绥化分院 | 2020-06-26 | — | — | CN | claimed |
| US-20170190729-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-07-06 | — | — | US | disclosed |
| US-5108489-A | HERBICIDAL DISUBSTITUTED NAPHTHALENES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-04-28 | — | — | US | disclosed |