⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7708380 | 0.77 | GABRG2 (0.38) | — | |
| SCHEMBL6866950 | 0.63 | GABRG2 (0.39) | — | |
| SCHEMBL6871034 | 0.57 | GABRA1 (0.34) | — | |
| SCHEMBL6866654 | 0.55 | GABRG2 (0.45) | — | |
| SCHEMBL23638516 | 0.49 | FGFR1 (0.47) | — | |
| SCHEMBL11829518 | 0.49 | CHRM1 (0.30) | — | |
| SCHEMBL11845687 | 0.48 | CHRM1 (0.49) | — | |
| SCHEMBL11829806 | 0.47 | CHRM1 (0.30) | — | |
| SCHEMBL20884950 | 0.45 | ALDH1A1 (0.41) | — | |
| SCHEMBL28058700 | 0.44 | DRD2 (0.47) | — |
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-1337535-B1 | BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2004-06-09 | — | — | EP | disclosed |
| US-6743789-B2 | SUBSTITUTED IMIDAZO (1,5-A) (1,2,4) TRIAZOLO (4,3-D) (1,4) BENZODIAZEPINE DERIVATIVES ARE USEFUL FOR TREATING ALZHEIMER'S DISEASE; REACTING A BEZODIAZEPINE DERIVATIVE WITH A HYDRAZIDE DERIVATIVE TO FORM END PRODUCT | HOFFMANN-LA ROCHE INC. | 2004-06-01 | — | — | US | disclosed |
| US-20020103371-A1 | Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives | HOFFMANN-LA ROCHE INC. | 2002-08-01 | — | — | US | disclosed |