⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22312242 | 0.70 | — | — | |
| SCHEMBL5221117 | 0.62 | — | — | |
| SCHEMBL15214522 | 0.61 | — | — | |
| SCHEMBL14812504 | 0.61 | CYP2D6 (0.36) | — | |
| SCHEMBL14812499 | 0.61 | CYP2D6 (0.36) | — | |
| SCHEMBL13927963 | 0.59 | NLRP3 (0.33) | — | |
| SCHEMBL9995617 | 0.58 | — | — | |
| SCHEMBL13075736 | 0.55 | — | — | |
| SCHEMBL9998660 | 0.55 | ESR2 (0.32) | — | |
| SCHEMBL12787382 | 0.54 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1869041-A1 | TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | Warner-Lambert Company LLC (US) | 2007-12-26 | — | — | EP | disclosed |
| US-20060234997-A1 | Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia | WARNER-LAMBERT COMPANY LLC | 2006-10-19 | — | — | US | disclosed |
| WO-2006103559-A1 | TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | WARNER-LAMBERT COMPANY LLC (US) | 2006-10-05 | — | — | WO | disclosed |