⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL633232 | 0.93 | APLNR (0.36) | — | |
| SCHEMBL634031 | 0.92 | APLNR (0.36) | — | |
| SCHEMBL633075 | 0.91 | DPP4 (0.38) | — | |
| SCHEMBL504366 | 0.90 | ACHE (0.40) | — | |
| SCHEMBL504036 | 0.89 | ACHE (0.40) | — | |
| SCHEMBL633937 | 0.89 | — | — | |
| SCHEMBL504697 | 0.88 | APLNR (0.39) | — | |
| SCHEMBL504305 | 0.88 | ACHE (0.40) | — | |
| SCHEMBL504759 | 0.87 | APLNR (0.42) | — | |
| SCHEMBL634037 | 0.87 | FFAR1 (0.42) | — |
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-8664226-B2 | Compound having 3-heteroarylpyrimidin-4-(3H)-one structure and pharmaceutical preparation containing same | KOWA COMPANY, LTD. (JP) | 2014-03-04 | — | — | US | disclosed |
| EP-2420501-A1 | NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME | Kowa Company, Ltd. (JP) | 2012-02-22 | — | — | EP | disclosed |