⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1362856 | 0.65 | GAA (0.31) | — | |
| SCHEMBL1363109 | 0.64 | — | — | |
| SCHEMBL6378031 | 0.64 | PKM (0.42) | — | |
| SCHEMBL9279957 | 0.61 | — | — | |
| SCHEMBL20207645 | 0.59 | — | — | |
| SCHEMBL14379071 | 0.57 | TSHR (0.31) | — | |
| SCHEMBL19918261 | 0.54 | KDM4E (0.35) | — | |
| SCHEMBL4961123 | 0.53 | KDM4E (0.35) | — | |
| SCHEMBL11170705 | 0.52 | KDM4E (0.31) | — | |
| SCHEMBL20204628 | 0.52 | L3MBTL1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1883454-A2 | AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND | Showa Denko K.K. (JP) | 2008-02-06 | — | — | EP | disclosed |
| WO-2006126729-A2 | AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND | SHOWA DENKO K.K. (JP) | 2006-11-30 | — | — | WO | disclosed |