⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7813394 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL7809701 | 0.83 | CNR2 (0.31) | — | |
| SCHEMBL7811072 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL15514767 | 0.72 | BCHE (0.34) | — | |
| SCHEMBL6977102 | 0.70 | MCL1 (0.31) | — | |
| SCHEMBL7813372 | 0.69 | KDM4E (0.38) | — | |
| SCHEMBL6971025 | 0.65 | RARB (0.34) | — | |
| SCHEMBL7496062 | 0.65 | — | — | |
| SCHEMBL7816914 | 0.63 | MEN1 (0.31) | — | |
| SCHEMBL15515252 | 0.62 | KDM4E (0.36) | — |
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-0961774-B1 | PYRAZOL-4-YL-BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES | BASF AG (DE) | 2001-12-12 | — | — | EP | disclosed |
| EP-0961774-A1 | PYRAZOL-4-YL-BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1999-12-08 | — | — | EP | disclosed |
| EP-0847394-A1 | 2-CYCLOHEXANE-1,3-DIONE BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-17 | — | — | EP | disclosed |
| WO-1997019076-A1 | ISOXAZOLE-4-YL-BENZOYL DERIVATIVES AND THE USE THEREOF AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-05-29 | — | — | WO | disclosed |
| WO-1997019071-A1 | 2-CYANO-1,3-DIONE DERIVATIVES, THE PRODUCTION OF SAME AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-05-29 | — | — | WO | disclosed |
| WO-1997009324-A1 | 2-CYCLOHEXANE-1,3-DIONE BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-13 | — | — | WO | disclosed |
| WO-1997009327-A1 | PYRAZOL-4-YL-BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-13 | — | — | WO | disclosed |