⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6164727 | 0.92 | — | — | |
| SCHEMBL6166670 | 0.90 | — | — | |
| SCHEMBL6164695 | 0.85 | GRM2 (0.40) | — | |
| SCHEMBL6165096 | 0.85 | GRM2 (0.41) | — | |
| SCHEMBL6165303 | 0.84 | — | — | |
| SCHEMBL6174142 | 0.84 | — | — | |
| SCHEMBL6164534 | 0.83 | GRM2 (0.47) | — | |
| SCHEMBL6168183 | 0.83 | — | — | |
| SCHEMBL6167112 | 0.82 | — | — | |
| SCHEMBL6165319 | 0.82 | GRM2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1379511-B1 | DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | HOFFMANN LA ROCHE (CH) | 2005-07-20 | — | — | EP | disclosed |
| US-20020193367-A1 | Dihydro-benzo [b] [1,4] diazepin-2-one derivatives | F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) | 2002-12-19 | — | — | US | disclosed |