⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2315045 | 0.75 | — | — | |
| SCHEMBL9846307 | 0.70 | GRIN2D (0.42) | — | |
| SCHEMBL9333284 | 0.67 | PDE3B (0.49) | — | |
| SCHEMBL24551105 | 0.67 | GRIN2D (0.43) | — | |
| SCHEMBL22867594 | 0.63 | DPYD (0.44) | — | |
| SCHEMBL15132118 | 0.62 | GRIN2D (0.44) | — | |
| SCHEMBL10307586 | 0.62 | GRIN2D (0.56) | — | |
| SCHEMBL28573384 | 0.62 | — | — | |
| SCHEMBL2574210 | 0.62 | DAO (0.35) | — | |
| SCHEMBL5188867 | 0.62 | GRIN2D (0.43) | — |
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-109563043-A | SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-04-02 | — | — | CN | disclosed |