⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6166001 | 0.92 | GRM2 (0.43) | — | |
| SCHEMBL6167818 | 0.90 | — | — | |
| SCHEMBL6166796 | 0.89 | — | — | |
| SCHEMBL6167112 | 0.85 | — | — | |
| SCHEMBL6165640 | 0.82 | GRM2 (0.44) | — | |
| SCHEMBL6166214 | 0.82 | GRM2 (0.41) | — | |
| SCHEMBL6164933 | 0.78 | — | — | |
| SCHEMBL6165324 | 0.77 | — | — | |
| SCHEMBL6165319 | 0.77 | GRM2 (0.43) | — | |
| SCHEMBL6163590 | 0.76 | — | — |
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-6544985-B2 | For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits | HOFFMAN-LA ROCHE INC. | 2003-04-08 | — | — | US | disclosed |