⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16496268 | 0.94 | AGTR1 (0.40) | — | |
| SCHEMBL9947895 | 0.93 | APLNR (0.36) | — | |
| SCHEMBL9948137 | 0.92 | — | — | |
| SCHEMBL9948193 | 0.87 | — | — | |
| SCHEMBL16495800 | 0.86 | — | — | |
| SCHEMBL9948451 | 0.86 | APLNR (0.37) | — | |
| SCHEMBL9948299 | 0.86 | — | — | |
| SCHEMBL9948063 | 0.84 | APLNR (0.33) | — | |
| SCHEMBL9948001 | 0.83 | APLNR (0.35) | — | |
| SCHEMBL9948382 | 0.83 | AGTR1 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2399917-A1 | NOVEL COMPOUNDS COMPRISING A 3-(5-ALKOXYPYRIMIDIN-2-YL) PYRIMIDIN-4(3H)-ONE STRUCTURE AND DRUGS THAT COMPRISE SAME | Kowa Company, Ltd. (JP) | 2011-12-28 | — | — | EP | disclosed |