⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10042221 | 0.86 | MAP3K7 (0.32) | — | |
| SCHEMBL14525487 | 0.76 | PSEN1 (0.30) | — | |
| SCHEMBL14242304 | 0.71 | MAP3K7 (0.52) | — | |
| SCHEMBL6323832 | 0.67 | — | — | |
| SCHEMBL8111853 | 0.66 | — | — | |
| SCHEMBL20969271 | 0.65 | — | — | |
| SCHEMBL15661939 | 0.64 | MAPT (0.34) | — | |
| SCHEMBL1091985 | 0.64 | — | — | |
| SCHEMBL20969185 | 0.64 | — | — | |
| SCHEMBL3208668 | 0.62 | PSEN1 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0282792-B1 | SUBSTITUTED 2,3-EPOXY-5-CYCLOHEXENONE DERIVATIVES AND FUNGICIDES AND HERBICIDES CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1990-05-30 | — | — | EP | claimed |
| US-5076829-A | SUBSTITUTED 2,3-EPOXY-5-CYCLOHEXENONE DERIVATIVES, AND FUNGICIDES AND HERBICIDES CONTAINING SAME | BASF AKTIENGESELLSCHAFT (DE) | 1991-12-31 | — | — | US | disclosed |
| EP-0282792-B1 | SUBSTITUTED 2,3-EPOXY-5-CYCLOHEXENONE DERIVATIVES AND FUNGICIDES AND HERBICIDES CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1990-05-30 | — | — | EP | disclosed |
| EP-0282792-A1 | Substituted 2,3-epoxy-5-cyclohexenone derivatives and fungicides and herbicides containing them | BASF Aktiengesellschaft (DE) | 1988-09-21 | — | — | EP | disclosed |
| EP-0282792-A1 | Substituted 2,3-epoxy-5-cyclohexenone derivatives and fungicides and herbicides containing them | BASF Aktiengesellschaft (DE) | 1988-09-21 | — | — | EP | disclosed |