⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL712924 | 0.82 | — | — | |
| SCHEMBL6048602 | 0.82 | — | — | |
| SCHEMBL7226727 | 0.72 | — | — | |
| SCHEMBL712145 | 0.72 | — | — | |
| SCHEMBL714960 | 0.72 | — | — | |
| SCHEMBL18281246 | 0.72 | GRIN2D (0.33) | — | |
| SCHEMBL6701576 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL711113 | 0.71 | KDM4E (0.39) | — | |
| SCHEMBL8611287 | 0.70 | — | — | |
| SCHEMBL5674274 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996023790-A1 | ACETYLIMIDAZOBENZODIAZEPINES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-08-08 | — | — | WO | disclosed |
| US-4005099-A | 1-[(Dimethylamino)-methyl]-6-aryl-4H-imidazo[1,5-a][1,4]benzodiazepines | THE UPJOHN COMPANY (US) | 1977-01-25 | — | — | US | disclosed |