⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7594478 | 0.74 | — | — | |
| SCHEMBL7594482 | 0.74 | — | — | |
| SCHEMBL22675711 | 0.73 | — | — | |
| SCHEMBL23571351 | 0.69 | — | — | |
| SCHEMBL2585042 | 0.67 | — | — | |
| SCHEMBL7733689 | 0.67 | — | — | |
| SCHEMBL6761069 | 0.67 | — | — | |
| SCHEMBL2585044 | 0.67 | — | — | |
| SCHEMBL2347613 | 0.67 | — | — | |
| SCHEMBL2330428 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005030704-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2005-04-07 | — | — | WO | disclosed |