⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL956480 | 0.95 | — | — | |
| SCHEMBL295143 | 0.82 | — | — | |
| Isopropylamine SCHEMBL4947945 | 0.80 | ALDH1A1 (0.42) | — | |
| Chloroform SCHEMBL20971419 | 0.78 | — | — | |
| Chloroform SCHEMBL28183723 | 0.78 | — | — | |
| Chloroform SCHEMBL48119 | 0.76 | LMNA (0.57) | — | |
| Chloroform SCHEMBL9568279 | 0.76 | LMNA (0.57) | — | |
| Chloroform SCHEMBL9526391 | 0.76 | LMNA (0.57) | — | |
| Hydrochloric Acid SCHEMBL7173417 | 0.76 | — | — | |
| Chloroform SCHEMBL2571706 | 0.76 | LMNA (0.57) | — |
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-20060264415-A1 | Inhibitors of histone deacetylase | METHYLGENE INC. | 2006-11-23 | — | — | US | disclosed |