⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1918197 | 0.72 | HCAR2 (0.35) | — | |
| SCHEMBL6665137 | 0.69 | — | — | |
| SCHEMBL7185798 | 0.67 | HCAR2 (0.34) | — | |
| SCHEMBL2721543 | 0.67 | — | — | |
| SCHEMBL7746093 | 0.66 | SLC7A5 (0.36) | — | |
| SCHEMBL7746085 | 0.66 | SLC7A5 (0.36) | — | |
| SCHEMBL183861 | 0.66 | HCAR2 (0.39) | — | |
| SCHEMBL6446355 | 0.66 | HCAR2 (0.39) | — | |
| SCHEMBL27799963 | 0.63 | — | — | |
| SCHEMBL2721545 | 0.63 | — | — |
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-1119563-A1 | TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) | SMITHKLINE BEECHAM PLC (GB) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000021951-A1 | TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) | SMITHKLINE BEECHAM PLC (GB) | 2000-04-20 | — | — | WO | disclosed |