⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL629160 | 0.65 | — | — | |
| SCHEMBL5166353 | 0.65 | — | — | |
| SCHEMBL14589695 | 0.61 | — | — | |
| SCHEMBL9420731 | 0.49 | — | — | |
| SCHEMBL8508393 | 0.49 | — | — | |
| SCHEMBL9272435 | 0.48 | — | — | |
| SCHEMBL10914779 | 0.46 | — | — | |
| SCHEMBL16923803 | 0.46 | — | — | |
| SCHEMBL14433989 | 0.46 | — | — | |
| SCHEMBL4592896 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7595343-B2 | Inhibitors of histone deacetylase | METHYLGENE, INC. (CA) | 2009-09-29 | — | — | US | disclosed |