⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9371304 | 0.87 | GABRP (0.50) | — | |
| SCHEMBL10627757 | 0.86 | GABRA1 (0.50) | — | |
| SCHEMBL10625515 | 0.85 | — | — | |
| SCHEMBL9372064 | 0.85 | GABRA1 (0.63) | — | |
| SCHEMBL9376708 | 0.85 | GABRA1 (0.49) | — | |
| SCHEMBL10632258 | 0.84 | GABRA1 (0.48) | — | |
| SCHEMBL7315707 | 0.83 | — | — | |
| SCHEMBL7390146 | 0.83 | — | — | |
| SCHEMBL9372450 | 0.82 | ALDH1A1 (0.48) | — | |
| SCHEMBL7487639 | 0.82 | GABRA1 (0.67) | — |
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-0150040-B1 | Imidazodiazepine derivatives | HOFFMANN LA ROCHE (CH) | 1994-08-31 | — | — | EP | disclosed |
| US-4775671-A | ANXIOLYTIC AGENTS, ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS | HOFFMANN-LA ROCHE INC. (US) | 1988-10-04 | — | — | US | disclosed |
| EP-0150040-A2 | Imidazodiazepine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1985-07-31 | — | — | EP | disclosed |