⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19100015 | 0.65 | — | — | |
| SCHEMBL18663183 | 0.60 | — | — | |
| SCHEMBL9384169 | 0.59 | — | — | |
| SCHEMBL7009257 | 0.57 | — | — | |
| SCHEMBL18658893 | 0.44 | — | — | |
| SCHEMBL22444361 | 0.42 | KDM4E (0.38) | — | |
| SCHEMBL1004982 | 0.40 | CYP3A4 (0.32) | — | |
| SCHEMBL2749936 | 0.40 | CYP3A4 (0.32) | — | |
| SCHEMBL31498541 | 0.40 | ALDH1A1 (0.61) | — | |
| SCHEMBL1004841 | 0.40 | CYP3A4 (0.32) | — |
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-20050153964-A1 | Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis | GLAXO GROUP LIMITED (GB) | 2005-07-14 | — | — | US | disclosed |