⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6433845 | 0.90 | — | — | |
| SCHEMBL7138054 | 0.89 | — | — | |
| SCHEMBL7142107 | 0.86 | — | — | |
| SCHEMBL6435027 | 0.81 | — | — | |
| SCHEMBL5868961 | 0.77 | GRM2 (0.59) | — | |
| SCHEMBL7138286 | 0.76 | — | — | |
| SCHEMBL7141208 | 0.76 | — | — | |
| SCHEMBL7142979 | 0.76 | — | — | |
| SCHEMBL6438022 | 0.75 | GRM2 (0.42) | — | |
| SCHEMBL7139574 | 0.75 | CYP3A4 (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-1224174-B1 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2003-09-17 | — | — | EP | disclosed |
| EP-1224174-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029011-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |