⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11158009 | 1.00 | — | — | |
| SCHEMBL16755592 | 0.78 | — | — | |
| SCHEMBL2911754 | 0.76 | — | — | |
| SCHEMBL27324364 | 0.76 | — | — | |
| SCHEMBL18741301 | 0.76 | — | — | |
| SCHEMBL1487696 | 0.76 | NFE2L2 (0.35) | — | |
| SCHEMBL1487695 | 0.76 | NFE2L2 (0.35) | — | |
| SCHEMBL27929401 | 0.75 | TRPA1 (0.39) | — | |
| SCHEMBL12832130 | 0.74 | — | — | |
| SCHEMBL18494087 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0984914-A1 | SUBSTITUTED 2-(3-ALKENYL-BENZOYL)-CYCLOHEXANE-1,3-DIONES | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-15 | — | — | EP | claimed |
| WO-1998050337-A1 | SUBSTITUTED 2-(3-ALKENYL-BENZOYL)-CYCLOHEXANE-1,3-DIONES | BASF AKTIENGESELLSCHAFT (DE) | 1998-11-12 | — | — | WO | claimed |
| EP-0888334-A1 | 2-HETAROYLCYCLOHEXANE-1,3-DIONES | BASF AKTIENGESELLSCHAFT (DE) | 1999-01-07 | — | — | EP | disclosed |
| EP-0847394-A1 | 2-CYCLOHEXANE-1,3-DIONE BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-17 | — | — | EP | disclosed |
| WO-1997030986-A1 | 2-HETAROYLCYCLOHEXANE-1,3-DIONES | BASF AKTIENGESELLSCHAFT (DE) | 1997-08-28 | — | — | WO | disclosed |
| WO-1997009324-A1 | 2-CYCLOHEXANE-1,3-DIONE BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-13 | — | — | WO | disclosed |