⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10076564 | 0.78 | — | — | |
| SCHEMBL14722308 | 0.73 | — | — | |
| SCHEMBL27765168 | 0.73 | — | — | |
| SCHEMBL31412624 | 0.70 | — | — | |
| SCHEMBL226972 | 0.70 | — | — | |
| SCHEMBL28561922 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL3407509 | 0.68 | — | — | |
| SCHEMBL3187920 | 0.67 | — | — | |
| SCHEMBL315517 | 0.67 | — | — | |
| SCHEMBL27884552 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1863765-A1 | 6, 7, 8, 9-TETRAHYDRO-5-AMINO-5H-BENZOCYCLOHEPTEN-6-OL DERIVATIVES AND RELATED COMPOUNDS USED AS ANTI-INFLAMMATORY AGENTS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006100099-A1 | 6, 7, 8, 9-TETRAHYDRO-5-AMINO-5H-BENZOCYCLOHEPTEN-6-OL DERIVATIVES AND RELATED COMPOUNDS USED AS ANTI-INFLAMMATORY AGENTS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2006-09-28 | — | — | WO | disclosed |