⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13720707 | 0.78 | — | — | |
| SCHEMBL21660793 | 0.72 | — | — | |
| SCHEMBL22781002 | 0.70 | — | — | |
| SCHEMBL21990930 | 0.67 | TAS1R3 (0.31) | — | |
| SCHEMBL14767651 | 0.67 | TRPA1 (0.30) | — | |
| SCHEMBL12332914 | 0.66 | — | — | |
| SCHEMBL14516394 | 0.65 | — | — | |
| SCHEMBL13711168 | 0.64 | — | — | |
| SCHEMBL20751628 | 0.64 | — | — | |
| SCHEMBL15579419 | 0.62 | — | — |
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-3660017-A1 | METHOD FOR PREPARING PYRIMIDONE HETEROARYL DERIVATIVE AND INTERMEDIATE OF PYRIMIDONE HETEROARYL DERIVATIVE | Jiangsu Hengrui Medicine Co., Ltd. (CN) | 2020-06-03 | — | — | EP | disclosed |