⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2655482 | 0.81 | HRH4 (0.34) | — | |
| SCHEMBL2656347 | 0.81 | MAPKAPK2 (0.38) | — | |
| SCHEMBL2655656 | 0.79 | GRM5 (0.33) | — | |
| SCHEMBL2656851 | 0.79 | DGAT1 (0.32) | — | |
| SCHEMBL2656693 | 0.79 | PDE5A (0.34) | — | |
| SCHEMBL4913555 | 0.79 | — | — | |
| SCHEMBL2662169 | 0.78 | MAPK1 (0.37) | — | |
| SCHEMBL2657622 | 0.78 | UGCG (0.35) | — | |
| SCHEMBL2658291 | 0.77 | CA1 (0.35) | — | |
| SCHEMBL4916255 | 0.77 | GABRG2 (0.33) | — |
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-2176263-A2 | FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS | AstraZeneca AB (SE) | 2010-04-21 | — | — | EP | disclosed |
| US-20080318943-A1 | Compounds and Uses Thereof - 848 | ASTRAZENECA AB (SE) | 2008-12-25 | — | — | US | disclosed |
| WO-2008155572-A2 | FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS | ASTRAZENECA AB (SE) | 2008-12-24 | — | — | WO | disclosed |