⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20620966 | 0.72 | — | — | |
| SCHEMBL5109098 | 0.72 | — | — | |
| SCHEMBL12748097 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL1768865 | 0.70 | — | — | |
| SCHEMBL1244978 | 0.70 | — | — | |
| SCHEMBL14048560 | 0.70 | — | — | |
| SCHEMBL28755922 | 0.67 | — | — | |
| SCHEMBL2328878 | 0.65 | — | — | |
| SCHEMBL3128736 | 0.65 | — | — | |
| SCHEMBL6746941 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110034474-A1 | PYRIDAZINONE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-02-10 | — | — | US | disclosed |
| EP-1935887-B1 | Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMA INC (US) | 2010-01-13 | — | — | EP | disclosed |