⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11206448 | 0.74 | ACHE (0.38) | — | |
| SCHEMBL17086781 | 0.73 | — | — | |
| SCHEMBL27855436 | 0.71 | — | — | |
| SCHEMBL28795085 | 0.71 | — | — | |
| SCHEMBL13383335 | 0.69 | — | — | |
| SCHEMBL12583130 | 0.69 | — | — | |
| SCHEMBL28823900 | 0.69 | — | — | |
| SCHEMBL20769115 | 0.69 | — | — | |
| SCHEMBL28161986 | 0.65 | — | — | |
| SCHEMBL3937057 | 0.64 | FUCA1 (0.40) | — |
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-106232584-B | As 6 inhibitor of histone deacetylase new compound and include its pharmaceutical composition | 株式会社钟根堂 | 2019-06-28 | — | — | CN | disclosed |