⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10285359 | 0.90 | CETP (0.38) | — | |
| SCHEMBL10283224 | 0.88 | CETP (0.44) | — | |
| SCHEMBL6060381 | 0.85 | CETP (0.37) | — | |
| SCHEMBL20342461 | 0.84 | CYP2D6 (0.38) | — | |
| SCHEMBL10783838 | 0.83 | CETP (0.32) | — | |
| SCHEMBL6061103 | 0.81 | CYP4F2 (0.42) | — | |
| SCHEMBL6059644 | 0.81 | CYP4F2 (0.42) | — | |
| SCHEMBL6060271 | 0.81 | CYP4F2 (0.42) | — | |
| SCHEMBL20002083 | 0.80 | — | — | |
| SCHEMBL16892274 | 0.80 | GRM2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8202856-B2 | Triazole oxadiazoles derivatives | MERCK SERONO SA (CH) | 2012-06-19 | — | — | US | disclosed |
| US-7772252-B2 | Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2010-08-10 | — | — | US | disclosed |
| US-20090247509-A1 | Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2009-10-01 | — | — | US | disclosed |
| US-7521445-B2 | Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2009-04-21 | — | — | US | disclosed |
| US-20070161641-A1 | Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2007-07-12 | — | — | US | disclosed |
| US-7186724-B2 | Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2007-03-06 | — | — | US | disclosed |