⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6222173 | 0.87 | — | — | |
| SCHEMBL2368810 | 0.82 | KDM5A (0.30) | — | |
| SCHEMBL2073374 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL29991123 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL5130352 | 0.78 | TSHR (0.47) | — | |
| SCHEMBL24703880 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL1707150 | 0.76 | TSHR (0.48) | — | |
| SCHEMBL5124190 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL27882078 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL1705915 | 0.73 | LMNA (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8026265-B2 | Heterocycle substituted ketone derivatives as histone deacetylase (HDAC) inhibitors | Istituto de Ricerche di Biologia Molecolare P. Angeletti SpA. (IT) | 2011-09-27 | — | — | US | disclosed |
| US-20100234374-A1 | Heterocycle Substituted Ketone Derivatives as Histone Deacetylase (HDAC) Inhibitors | MSD ITALIA S.R.L. (IT) | 2010-09-16 | — | — | US | disclosed |
| EP-1976834-A2 | HETEROCYCLE SUBSTITUTED KETONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007072080-A2 | HETEROCYCLE SUBSTITUTED KETONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-06-28 | — | — | WO | disclosed |