⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1478858 | 0.72 | — | — | |
| SCHEMBL10713744 | 0.72 | — | — | |
| SCHEMBL2608982 | 0.69 | — | — | |
| SCHEMBL1775318 | 0.69 | — | — | |
| SCHEMBL8238175 | 0.69 | — | — | |
| SCHEMBL10175762 | 0.67 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL1508193 | 0.67 | — | — | |
| SCHEMBL21297182 | 0.67 | — | — | |
| SCHEMBL445719 | 0.67 | — | — | |
| SCHEMBL6177181 | 0.67 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1144401-A3 | THIOCHROMANOYL CYCLOHEXENONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-11 | — | — | EP | disclosed |
| EP-1181295-A2 | TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-27 | — | — | EP | disclosed |
| EP-1144401-A2 | THIOCHROMANOYL CYCLOHEXENONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000073311-A2 | TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-07 | — | — | WO | disclosed |
| WO-2000059911-A2 | TRICYCLIC CYCLOHEXANEDIONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-12 | — | — | WO | disclosed |
| WO-2000035903-A2 | THIOCHROMANOYL CYCLOHEXENONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-22 | — | — | WO | disclosed |
| EP-0971903-A1 | NOVEL HERBICIDAL HYDROXIMIC ACID DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998042681-A1 | NOVEL HERBICIDAL HYDROXIMIC ACID DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-01 | — | — | WO | disclosed |