⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL504714 | 0.95 | — | — | |
| SCHEMBL504840 | 0.94 | — | — | |
| SCHEMBL504233 | 0.94 | — | — | |
| SCHEMBL504630 | 0.93 | — | — | |
| SCHEMBL505185 | 0.93 | AGTR1 (0.37) | — | |
| SCHEMBL504433 | 0.93 | — | — | |
| SCHEMBL505102 | 0.92 | — | — | |
| SCHEMBL505096 | 0.92 | AGTR1 (0.38) | — | |
| SCHEMBL504759 | 0.91 | APLNR (0.42) | — | |
| SCHEMBL504690 | 0.88 | AGTR1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120028983-A1 | NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME | KOWA COMPANY, LTD. (JP) | 2012-02-02 | — | — | US | disclosed |