⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30950412 | 0.68 | — | — | |
| SCHEMBL8135893 | 0.65 | KMT2A (0.40) | — | |
| SCHEMBL30615210 | 0.62 | — | — | |
| SCHEMBL29429231 | 0.60 | GABRA1 (0.48) | — | |
| Bromide SCHEMBL28568919 | 0.58 | GABRA1 (0.47) | — | |
| SCHEMBL29082849 | 0.57 | KDM4E (0.30) | — | |
| SCHEMBL31416481 | 0.56 | KDM4E (0.58) | — | |
| SCHEMBL30177114 | 0.56 | TP53 (0.34) | — | |
| SCHEMBL28704431 | 0.55 | KDM4E (0.50) | — | |
| SCHEMBL28497580 | 0.53 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8080573-B2 | Heterocycle substituted amide and sulfur amide derivatives as histone deacetylase (hdac) inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-12-20 | — | — | US | disclosed |
| US-20090156619-A1 | Heterocycle Substituted Amide and Sulfur Amide Derivatives as Histone Deacetylase (HDAC) Inhibitors | MSD ITALIA S.R.L. (IT) | 2009-06-18 | — | — | US | disclosed |