⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19032390 | 0.93 | CA1 (0.50) | — | |
| SCHEMBL11144899 | 0.91 | CA1 (0.48) | — | |
| SCHEMBL3405500 | 0.91 | CA1 (0.48) | — | |
| SCHEMBL19032307 | 0.91 | CA1 (0.48) | — | |
| SCHEMBL21603989 | 0.84 | — | — | |
| SCHEMBL6896469 | 0.80 | BLM (0.45) | — | |
| SCHEMBL9357538 | 0.77 | CA2 (0.54) | — | |
| SCHEMBL874008 | 0.77 | — | — | |
| SCHEMBL23197652 | 0.75 | — | — | |
| SCHEMBL22791855 | 0.75 | CA1 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1163240-A1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 2001-12-19 | — | — | EP | disclosed |
| EP-1112256-A1 | CYCLOHEXENONQUINOLINOYL-DERIVATIVES AS HERBICIDAL AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000055158-A1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 2000-09-21 | — | — | WO | disclosed |
| WO-2000014069-A1 | CYCLOHEXENONQUINOLINOYL-DERIVATIVES AS HERBICIDAL AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-16 | — | — | WO | disclosed |