⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25698138 | 0.74 | — | — | |
| SCHEMBL24692609 | 0.74 | DNM1 (0.48) | — | |
| SCHEMBL19622418 | 0.72 | DNM1 (0.46) | — | |
| SCHEMBL22254288 | 0.70 | DNM1 (0.50) | — | |
| SCHEMBL71563 | 0.67 | — | — | |
| SCHEMBL28177060 | 0.67 | DNM1 (0.93) | — | |
| SCHEMBL516480 | 0.67 | DNM1 (0.61) | — | |
| SCHEMBL16790931 | 0.67 | DNM1 (0.61) | — | |
| Hexane SCHEMBL1972103 | 0.65 | TSHR (0.64) | — | |
| Hexane SCHEMBL5792569 | 0.65 | TSHR (0.64) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1144401-A3 | THIOCHROMANOYL CYCLOHEXENONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-11 | — | — | EP | disclosed |
| EP-1144401-A2 | THIOCHROMANOYL CYCLOHEXENONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000059910-A2 | TRICYCLIC PYRAZOLONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-12 | — | — | WO | disclosed |
| WO-2000059911-A2 | TRICYCLIC CYCLOHEXANEDIONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-12 | — | — | WO | disclosed |
| WO-2000035903-A2 | THIOCHROMANOYL CYCLOHEXENONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-22 | — | — | WO | disclosed |
| EP-0958292-A1 | 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998031682-A1 | 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-23 | — | — | WO | disclosed |