⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1321806 | 0.79 | CYP26A1 (0.33) | — | |
| SCHEMBL7841406 | 0.77 | MEN1 (0.36) | — | |
| SCHEMBL2644227 | 0.75 | NOS3 (0.45) | — | |
| SCHEMBL9156006 | 0.75 | NNMT (0.43) | — | |
| SCHEMBL23836701 | 0.72 | UGT2B7 (0.36) | — | |
| SCHEMBL8955219 | 0.71 | CA12 (0.35) | — | |
| SCHEMBL19304057 | 0.71 | APLNR (0.35) | — | |
| SCHEMBL1319432 | 0.71 | KCNJ1 (0.36) | — | |
| SCHEMBL12120577 | 0.70 | — | — | |
| SCHEMBL31108226 | 0.69 | KDM4E (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8242175-B2 | Class of histone deacetylase inhibitors | DAC S.R.L. (IT) | 2012-08-14 | — | — | US | disclosed |
| US-20110077247-A1 | CLASS OF HISTONE DEACETYLASE INHIBITORS | DAC S.r.I. (IT) | 2011-03-31 | — | — | US | disclosed |
| US-20100113438-A1 | CLASS OF HISTONE DEACETYLASE INHIBITORS | DAC S.R.L. (IT) | 2010-05-06 | — | — | US | disclosed |