⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13754207 | 0.56 | LMNA (0.41) | — | |
| SCHEMBL10123082 | 0.55 | LMNA (0.40) | — | |
| SCHEMBL10482148 | 0.55 | HTT (0.38) | — | |
| SCHEMBL10393681 | 0.53 | LMNA (0.43) | — | |
| SCHEMBL9310082 | 0.53 | ALDH1A1 (0.44) | — | |
| SCHEMBL11377848 | 0.50 | GLP1R (0.38) | — | |
| SCHEMBL20867386 | 0.50 | CES2 (0.53) | — | |
| SCHEMBL2575338 | 0.50 | CES1 (0.57) | — | |
| SCHEMBL1392670 | 0.50 | CES1 (0.47) | — | |
| SCHEMBL5588953 | 0.50 | KDM4E (0.47) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0811007-B1 | PYRAZOL-4-YL-BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES | BASF AG (DE) | 2005-11-23 | — | — | EP | disclosed |
| EP-0960095-A1 | 3-AMINOCARBONYL/3-AMINOTHIOCARBONYL-SUBSTITUTED 2-BENZOYL- CYCLOHEXAN-1,3-DIONES WITH HERBICIDAL EFFECT | BASF AKTIENGESELLSCHAFT (DE) | 1999-12-01 | — | — | EP | disclosed |
| EP-0958292-A1 | 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-24 | — | — | EP | disclosed |
| EP-0958291-A1 | 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-24 | — | — | EP | disclosed |
| EP-0958276-A1 | SUBSTITUTED 2-BENZOYL-CYCLOHEXAN-1,3-DIONES WITH HERBICIDAL EFFECT | 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 |
| WO-1998031681-A1 | 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-23 | — | — | WO | disclosed |
| WO-1998029383-A1 | 3-AMINOCARBONYL/3-AMINOTHIOCARBONYL-SUBSTITUTED 2-BENZOYL- CYCLOHEXAN-1,3-DIONES WITH HERBICIDAL EFFECT | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-09 | — | — | WO | disclosed |
| WO-1998029384-A1 | SUBSTITUTED 2-BENZOYL-CYCLOHEXAN-1,3-DIONES WITH HERBICIDAL EFFECT | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-09 | — | — | WO | disclosed |
| EP-0811007-A1 | PYRAZOL-4-YL-BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-12-10 | — | — | EP | disclosed |
| EP-0810999-A1 | ISOXAZOLYL-BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1997-12-10 | — | — | EP | disclosed |
| EP-0810998-A1 | PHENYL DIKETONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1997-12-10 | — | — | EP | disclosed |
| EP-0811005-A1 | HERBICIDAL BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1997-12-10 | — | — | EP | disclosed |
| WO-1996026193-A1 | PHENYL DIKETONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1996-08-29 | — | — | WO | disclosed |
| WO-1996026206-A1 | PYRAZOL-4-YL-BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1996-08-29 | — | — | WO | disclosed |