⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1799185 | 0.84 | ALOX5 (0.43) | — | |
| SCHEMBL5517928 | 0.79 | ALOX5 (0.44) | — | |
| SCHEMBL18244837 | 0.75 | — | — | |
| SCHEMBL1048506 | 0.75 | — | — | |
| SCHEMBL7109005 | 0.75 | — | — | |
| SCHEMBL11911410 | 0.75 | — | — | |
| SCHEMBL2590915 | 0.73 | ALOX5 (0.41) | — | |
| SCHEMBL1799184 | 0.73 | TP53 (0.41) | — | |
| SCHEMBL4170184 | 0.71 | APP (0.55) | — | |
| SCHEMBL19475520 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105622638-B | Pyrimidine or pyridopyridine ketone compounds and its preparation method and application | 广州必贝特医药技术有限公司 | 2018-10-02 | — | — | CN | disclosed |
| CN-105622638-A | Pyrimido or pyridopyridone compound and its preparation method and use | GUANGZHOU KANGSHENG BEITE PHARMACEUTICAL CO LTD | 2016-06-01 | — | — | CN | disclosed |