⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5562458 | 0.93 | — | — | |
| SCHEMBL5557588 | 0.84 | CYP3A4 (0.58) | — | |
| SCHEMBL5868812 | 0.82 | — | — | |
| SCHEMBL6477792 | 0.81 | CYP3A4 (0.65) | — | |
| SCHEMBL5564034 | 0.81 | GRM2 (0.73) | — | |
| SCHEMBL5869073 | 0.80 | — | — | |
| SCHEMBL17336822 | 0.79 | GRM2 (0.68) | — | |
| SCHEMBL5557194 | 0.79 | GRM2 (0.58) | — | |
| SCHEMBL5869004 | 0.78 | CYP3A4 (0.69) | — | |
| SCHEMBL5868796 | 0.78 | GRM2 (0.70) | — |
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-1474416-B1 | DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | HOFFMANN LA ROCHE (CH) | 2007-09-26 | — | — | EP | disclosed |
| US-6949542-B2 | Dihydro-benzo[b][1,4]diazepin-2-one derivatives | HOFFMAN-LA ROCHE INC. (US) | 2005-09-27 | — | — | US | disclosed |
| US-20030166639-A1 | Dihydro-benzo[b][1,4]diazepin-2-one derivatives | F. HOFFMAN-LA ROCHE AG (CH) | 2003-09-04 | — | — | US | disclosed |