⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5570009 | 0.84 | — | — | |
| SCHEMBL2081326 | 0.76 | — | — | |
| SCHEMBL9726922 | 0.74 | GRIN1 (0.38) | — | |
| SCHEMBL2077753 | 0.73 | GRIN1 (0.37) | — | |
| SCHEMBL25238524 | 0.72 | OTUD7B (0.37) | — | |
| SCHEMBL5173578 | 0.72 | OTUD7B (0.37) | — | |
| SCHEMBL15018071 | 0.72 | — | — | |
| SCHEMBL479783 | 0.70 | — | — | |
| SCHEMBL21001975 | 0.70 | — | — | |
| SCHEMBL2171976 | 0.70 | GRIN1 (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2024330-A1 | PRODUCTION METHOD OF HETEROCYCLIC MERCAPTO COMPOUND | Showa Denko K.K. (JP) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007139215-A1 | PRODUCTION METHOD OF HETEROCYCLIC MERCAPTO COMPOUND | SHOWA DENKO K.K. (JP) | 2007-12-06 | — | — | WO | disclosed |
| EP-1845940-A1 | HAIR RELAXER | Showa Denko K.K. (JP) | 2007-10-24 | — | — | EP | disclosed |
| EP-1827370-A1 | HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR | Showa Denko K.K. (JP) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006083031-A1 | HAIR RELAXER | SHOWA DENKO K.K. (JP) | 2006-08-10 | — | — | WO | disclosed |
| WO-2006068276-A1 | HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR | SHOWA DENKO K.K. (JP) | 2006-06-29 | — | — | WO | disclosed |