⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7389913 | 0.94 | — | — | |
| SCHEMBL7393119 | 0.92 | — | — | |
| SCHEMBL7430636 | 0.91 | GABRA1 (0.51) | — | |
| SCHEMBL7307687 | 0.90 | — | — | |
| SCHEMBL7392150 | 0.89 | GABRA1 (0.52) | — | |
| SCHEMBL8871346 | 0.88 | GABRA1 (0.50) | — | |
| SCHEMBL7386192 | 0.87 | — | — | |
| SCHEMBL7391705 | 0.87 | — | — | |
| SCHEMBL7394322 | 0.87 | GABRG2 (0.52) | — | |
| SCHEMBL7430493 | 0.87 | GABRG2 (0.66) | — |
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-0672666-B1 | Imidazodiazepins | HOFFMANN LA ROCHE (CH) | 2001-07-25 | — | — | EP | disclosed |
| US-5665718-A | ANXIOLYTIC, ANTICONVULSANT, MUSCLE RELAXANT, SEDATIVE, HYPNOTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1997-09-09 | — | — | US | disclosed |
| EP-0672666-A2 | Imidazodiazepins | F. Hoffmann-La Roche AG (CH) | 1995-09-20 | — | — | EP | disclosed |