⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6643440 | 0.66 | — | — | |
| SCHEMBL5102077 | 0.64 | ALDH1A1 (0.43) | — | |
| SCHEMBL11473877 | 0.59 | — | — | |
| SCHEMBL7228367 | 0.57 | — | — | |
| SCHEMBL1892008 | 0.57 | — | — | |
| SCHEMBL28878023 | 0.56 | — | — | |
| SCHEMBL19085030 | 0.55 | — | — | |
| SCHEMBL4721725 | 0.53 | GBA1 (0.34) | — | |
| SCHEMBL2397043 | 0.53 | — | — | |
| SCHEMBL4724125 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |