⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7005302 | 0.78 | — | — | |
| SCHEMBL8061643 | 0.71 | MAPK1 (0.30) | — | |
| SCHEMBL1356898 | 0.65 | — | — | |
| SCHEMBL6996443 | 0.64 | — | — | |
| SCHEMBL17067954 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL1263625 | 0.62 | — | — | |
| SCHEMBL524327 | 0.61 | ALDH1A1 (0.39) | — | |
| SCHEMBL232401 | 0.61 | — | — | |
| SCHEMBL3408317 | 0.60 | — | — | |
| SCHEMBL92041 | 0.60 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1177179-A1 | BENZOHETERO CYCLYLCYCLO HEXENONES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-06 | — | — | EP | disclosed |
| EP-1177194-A1 | 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-06 | — | — | EP | disclosed |
| WO-2001000607-A1 | CYCLOHEXENONE DERIVATIVES OF BICYCLIC BENZOIC ACIDS AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-04 | — | — | WO | disclosed |
| WO-2001000584-A2 | PYRAZOLYL DERIVATIVES OF BICYCLIC BENZOIC ACIDS FOR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-04 | — | — | WO | disclosed |
| WO-2000068228-A1 | 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-16 | — | — | WO | disclosed |
| WO-2000068210-A1 | BENZOHETERO CYCLYLCYCLO HEXENONES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-16 | — | — | WO | disclosed |