⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3847236 | 0.76 | — | — | |
| SCHEMBL10351708 | 0.72 | KDM5B (0.35) | — | |
| SCHEMBL11435255 | 0.69 | — | — | |
| SCHEMBL19781496 | 0.69 | — | — | |
| SCHEMBL1342561 | 0.67 | — | — | |
| SCHEMBL8052340 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL28640336 | 0.65 | — | — | |
| SCHEMBL28142192 | 0.65 | — | — | |
| SCHEMBL11211880 | 0.65 | — | — | |
| SCHEMBL6887729 | 0.64 | ALDH1A1 (0.44) | — |
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-103864793-B | Substituted purin-9-acetylamino hydroxamic acid histone deacetylases inhibitor and preparation method and application | 山东大学 | 2016-08-17 | — | — | CN | disclosed |