⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3841776 | 0.79 | CYP1A2 (0.43) | — | |
| SCHEMBL4899176 | 0.73 | — | — | |
| SCHEMBL3843322 | 0.71 | — | — | |
| SCHEMBL2652150 | 0.68 | — | — | |
| SCHEMBL10697374 | 0.67 | NPSR1 (0.39) | — | |
| SCHEMBL9292998 | 0.64 | NPSR1 (0.41) | — | |
| SCHEMBL6198951 | 0.64 | — | — | |
| SCHEMBL7315452 | 0.64 | — | — | |
| SCHEMBL3050329 | 0.64 | — | — | |
| SCHEMBL27536728 | 0.62 | CA1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2007753-B1 | HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2009-11-11 | — | — | EP | claimed |
| EP-2007753-A1 | HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS | F. Hoffmann-Roche AG (CH) | 2008-12-31 | — | — | EP | claimed |
| WO-2007115966-A1 | HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-18 | — | — | WO | claimed |
| US-20070238765-A1 | Heterocyclic GABAA subtype selective receptor modulators | ROCHE PALO ALTO LLC | 2007-10-11 | — | — | US | claimed |
| EP-2583720-A1 | Oxazolopyrimidines as Edg-1 receptor agonists | SANOFI (FR) | 2013-04-24 | — | — | EP | disclosed |
| EP-2007753-B1 | HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2009-11-11 | — | — | EP | disclosed |
| EP-2007753-A1 | HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS | F. Hoffmann-Roche AG (CH) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007115966-A1 | HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-18 | — | — | WO | disclosed |
| US-20070238765-A1 | Heterocyclic GABAA subtype selective receptor modulators | ROCHE PALO ALTO LLC | 2007-10-11 | — | — | US | disclosed |