⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL251406 | 0.71 | — | — | |
| SCHEMBL727673 | 0.71 | — | — | |
| SCHEMBL6382645 | 0.69 | — | — | |
| SCHEMBL9356800 | 0.67 | — | — | |
| SCHEMBL4783912 | 0.67 | — | — | |
| SCHEMBL4457344 | 0.67 | — | — | |
| SCHEMBL22618866 | 0.67 | — | — | |
| SCHEMBL252106 | 0.67 | — | — | |
| SCHEMBL1155323 | 0.67 | — | — | |
| SCHEMBL251010 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1987024-B1 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | MSD ITALIA SRL (IT) | 2016-10-19 | — | — | EP | disclosed |
| US-7799825-B2 | Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2010-09-21 | — | — | US | disclosed |
| US-20090076101-A1 | Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors | MSD ITALIA S.R.L. (IT) | 2009-03-19 | — | — | US | disclosed |
| EP-1987024-A1 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | Istituto di Ricerche di Biologia Molecolare P. Angeletti (IT) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093827-A1 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-08-23 | — | — | WO | disclosed |