⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2656238 | 0.90 | GRM5 (0.31) | — | |
| SCHEMBL2661113 | 0.89 | CRHR1 (0.31) | — | |
| SCHEMBL2656047 | 0.86 | — | — | |
| SCHEMBL2658826 | 0.86 | GRM5 (0.30) | — | |
| SCHEMBL2656851 | 0.85 | DGAT1 (0.32) | — | |
| SCHEMBL2659248 | 0.83 | LCK (0.47) | — | |
| SCHEMBL2657086 | 0.83 | UGCG (0.36) | — | |
| SCHEMBL2657587 | 0.83 | MAPK10 (0.33) | — | |
| SCHEMBL2658032 | 0.83 | UGCG (0.33) | — | |
| SCHEMBL2656990 | 0.82 | MAPK1 (0.39) | — |
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 6 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 | claimed |
| US-20080318943-A1 | Compounds and Uses Thereof - 848 | ASTRAZENECA AB (SE) | 2008-12-25 | — | — | US | claimed |
| WO-2008155572-A2 | FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS | ASTRAZENECA AB (SE) | 2008-12-24 | — | — | WO | claimed |
| 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 |