⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10468072 | 0.95 | — | — | |
| SCHEMBL10468680 | 0.90 | — | — | |
| SCHEMBL10469020 | 0.82 | HTR2A (0.47) | — | |
| SCHEMBL9312927 | 0.81 | — | — | |
| SCHEMBL10468666 | 0.81 | — | — | |
| SCHEMBL10469645 | 0.77 | PDE4B (0.46) | — | |
| SCHEMBL10468899 | 0.76 | PDE4A (0.44) | — | |
| SCHEMBL10467274 | 0.75 | HTR1A (0.45) | — | |
| SCHEMBL10467971 | 0.75 | — | — | |
| SCHEMBL10468907 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5374722-A | Treating psychoses | SCHERING CORPORATION (US) | 1994-12-20 | — | — | US | disclosed |
| WO-1992005157-A1 | PERI-CONDENSED BENZAZEPINES | SCHERING CORPORATION (US) | 1992-04-02 | — | — | WO | disclosed |