⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15758842 | 0.74 | GDA (0.31) | — | |
| SCHEMBL8613496 | 0.53 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL13330029 | 0.52 | GSK3B (0.31) | — | |
| SCHEMBL13209314 | 0.49 | — | — | |
| SCHEMBL5756757 | 0.49 | CHEK1 (0.37) | — | |
| SCHEMBL6645065 | 0.47 | OPRL1 (0.36) | — | |
| SCHEMBL12245329 | 0.47 | — | — | |
| SCHEMBL13949315 | 0.46 | MAPT (0.43) | — | |
| SCHEMBL22681333 | 0.45 | — | — | |
| SCHEMBL19250885 | 0.45 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105745210-B | Method for preparing the ketone derivatives of 8 (4 amino-benzene oxygen) 4H pyridos [2,3 B] pyrazine 3 | 癌症研究技术有限公司 | 2018-03-02 | — | — | CN | disclosed |