⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29950960 | 0.98 | CCR1 (0.30) | — | |
| SCHEMBL1452931 | 0.79 | — | — | |
| SCHEMBL28838242 | 0.76 | HRH1 (0.31) | — | |
| SCHEMBL16266106 | 0.72 | PKM (0.32) | — | |
| SCHEMBL16653965 | 0.72 | DAO (0.31) | — | |
| SCHEMBL3099997 | 0.69 | — | — | |
| SCHEMBL548610 | 0.69 | — | — | |
| SCHEMBL12615263 | 0.68 | CXCR4 (0.49) | — | |
| SCHEMBL3945997 | 0.68 | — | — | |
| SCHEMBL148931 | 0.67 | — | — |
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 1 patent. 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 |