⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6977102 | 0.73 | MCL1 (0.31) | — | |
| SCHEMBL7479118 | 0.66 | KDM4E (0.35) | — | |
| SCHEMBL6986634 | 0.65 | — | — | |
| SCHEMBL28061093 | 0.63 | MAPT (0.44) | — | |
| SCHEMBL983662 | 0.63 | PTPN1 (0.45) | — | |
| SCHEMBL6971025 | 0.62 | RARB (0.34) | — | |
| SCHEMBL15514767 | 0.61 | BCHE (0.34) | — | |
| SCHEMBL7816914 | 0.60 | MEN1 (0.31) | — | |
| SCHEMBL7813372 | 0.60 | KDM4E (0.38) | — | |
| SCHEMBL6986068 | 0.60 | MAPT (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1177194-B1 | 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS | BASF AG (DE) | 2003-09-17 | — | — | EP | disclosed |
| EP-1177194-A1 | 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000068228-A1 | 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-16 | — | — | WO | disclosed |