⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2039246 | 0.82 | — | — | |
| SCHEMBL16466504 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL19094737 | 0.62 | — | — | |
| SCHEMBL16027843 | 0.62 | — | — | |
| SCHEMBL16632235 | 0.60 | CHRM2 (0.34) | — | |
| SCHEMBL11289895 | 0.59 | ALDH1A1 (0.31) | — | |
| SCHEMBL11276576 | 0.59 | — | — | |
| SCHEMBL1714380 | 0.59 | — | — | |
| SCHEMBL11289901 | 0.59 | ALDH1A1 (0.31) | — | |
| SCHEMBL17845576 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112236431-B | Purinone Compounds and Their Use in the Treatment of Cancer | 阿斯利康(瑞典)有限公司 | 2024-02-13 | — | — | CN | disclosed |
| CN-110177791-B | Amino-triazolopyridine compounds and their use in the treatment of cancer | 阿斯利康(瑞典)有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-112236431-A | Purinone compounds and their use in the treatment of cancer | 阿斯利康(瑞典)有限公司 | 2021-01-15 | — | — | CN | disclosed |