⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21482019 | 0.78 | P2RX7 (0.33) | — | |
| SCHEMBL9825932 | 0.77 | PER2 (0.35) | — | |
| SCHEMBL9827651 | 0.74 | P2RX7 (0.34) | — | |
| SCHEMBL8031111 | 0.67 | KMT2A (0.31) | — | |
| SCHEMBL18576512 | 0.66 | PIK3C3 (0.30) | — | |
| SCHEMBL9826474 | 0.66 | ATM (0.39) | — | |
| SCHEMBL24740948 | 0.64 | AMY1A (0.39) | — | |
| SCHEMBL20672077 | 0.63 | — | — | |
| SCHEMBL18389126 | 0.63 | — | — | |
| SCHEMBL22304255 | 0.58 | LMNA (0.31) | — |
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-1720836-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005082859-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2005-09-09 | — | — | WO | disclosed |