⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2646905 | 0.86 | — | — | |
| SCHEMBL844623 | 0.74 | — | — | |
| SCHEMBL2916453 | 0.70 | — | — | |
| SCHEMBL3918698 | 0.66 | SIGMAR1 (0.30) | — | |
| SCHEMBL24694446 | 0.64 | PIK3CD (0.37) | — | |
| SCHEMBL2224960 | 0.63 | — | — | |
| SCHEMBL4629689 | 0.61 | SCN4A (0.43) | — | |
| SCHEMBL2645202 | 0.61 | — | — | |
| SCHEMBL2916248 | 0.61 | — | — | |
| SCHEMBL3558036 | 0.59 | — | — |
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-1828171-B1 | HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ANGELETTI P IST RICHERCHE BIO (IT) | 2014-03-12 | — | — | EP | disclosed |
| US-7863294-B2 | Heterocycle derivatives as histone deacetylase (HDAC) inhibitors | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-01-04 | — | — | US | disclosed |
| US-20090048228-A1 | Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors | MSD ITALIA S.R.L. (IT) | 2009-02-19 | — | — | US | disclosed |
| EP-1828171-A2 | HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006061638-A2 | HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) | 2006-06-15 | — | — | WO | disclosed |