⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5039765 | 0.80 | CRHR1 (0.30) | — | |
| SCHEMBL5043549 | 0.74 | CRHR1 (0.33) | — | |
| SCHEMBL5046718 | 0.71 | RXRA (0.31) | — | |
| SCHEMBL5043423 | 0.71 | CRHR1 (0.32) | — | |
| SCHEMBL14031211 | 0.69 | PKM (0.33) | — | |
| SCHEMBL5046968 | 0.69 | CRHR1 (0.31) | — | |
| SCHEMBL6646487 | 0.68 | CRHR1 (0.34) | — | |
| SCHEMBL5047550 | 0.68 | DRD4 (0.36) | — | |
| SCHEMBL5043792 | 0.68 | RXRA (0.30) | — | |
| SCHEMBL14049595 | 0.68 | RXRA (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7432283-B2 | Heterocyclic GABAA subtype selective receptor modulators | ROCHE PALO ALTO LLC (US) | 2008-10-07 | — | — | US | disclosed |
| EP-1718299-A1 | HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-08 | — | — | EP | disclosed |
| US-20050197330-A1 | Heterocyclic GABAA subtype selective receptor modulators | ROCHE PALO ALTO LLC | 2005-09-08 | — | — | US | disclosed |
| WO-2005077363-A1 | HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-25 | — | — | WO | disclosed |