⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9995744 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL9314763 | 0.73 | — | — | |
| SCHEMBL14722309 | 0.72 | — | — | |
| SCHEMBL3398125 | 0.72 | — | — | |
| SCHEMBL16684912 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3407512 | 0.70 | — | — | |
| SCHEMBL19417201 | 0.64 | — | — | |
| Fumaric Acid SCHEMBL11627724 | 0.63 | TSHR (0.33) | — | |
| SCHEMBL7752317 | 0.62 | — | — | |
| SCHEMBL3444889 | 0.62 | — | — |
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 |