⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7486785 | 0.79 | HTR2C (0.32) | — | |
| SCHEMBL6438566 | 0.79 | MGAM (0.30) | — | |
| SCHEMBL9404716 | 0.78 | NLRP3 (0.34) | — | |
| SCHEMBL10599330 | 0.76 | — | — | |
| SCHEMBL8683152 | 0.75 | — | — | |
| SCHEMBL271275 | 0.75 | — | — | |
| SCHEMBL845845 | 0.72 | — | — | |
| SCHEMBL7407325 | 0.72 | LGALS8 (0.34) | — | |
| SCHEMBL10599843 | 0.71 | CHRM5 (0.33) | — | |
| SCHEMBL4953874 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1379522-B1 | DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I | HOFFMANN LA ROCHE (CH) | 2005-01-26 | — | — | EP | disclosed |
| EP-1379522-A1 | DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I | F. HOFFMANN-LA ROCHE AG (CH) | 2004-01-14 | — | — | EP | disclosed |
| US-6548495-B2 | Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders | HOFFMANN-LA ROCHE INC. | 2003-04-15 | — | — | US | disclosed |
| US-20020198197-A1 | Dihydro-benzo [b] [1,4] diazepin-2-one derivatives | HOFFMANN-LA ROCHE INC. | 2002-12-26 | — | — | US | disclosed |
| WO-2002083665-A1 | DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-24 | — | — | WO | disclosed |