⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6629045 | 0.74 | — | — | |
| SCHEMBL12066432 | 0.74 | — | — | |
| SCHEMBL25959569 | 0.73 | — | — | |
| SCHEMBL14431373 | 0.73 | — | — | |
| SCHEMBL16508872 | 0.70 | ACHE (0.35) | — | |
| SCHEMBL12910052 | 0.70 | CHRM4 (0.34) | — | |
| SCHEMBL15925109 | 0.70 | HTR2A (0.31) | — | |
| SCHEMBL12130159 | 0.68 | PARP2 (0.33) | — | |
| SCHEMBL13927891 | 0.68 | ACHE (0.34) | — | |
| SCHEMBL23114424 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080131389-A1 | Hair Relaxer | SHOWA DENKO K.K. (JP) | 2008-06-05 | — | — | US | disclosed |
| EP-1845940-A1 | HAIR RELAXER | Showa Denko K.K. (JP) | 2007-10-24 | — | — | EP | disclosed |
| WO-2006083031-A1 | HAIR RELAXER | SHOWA DENKO K.K. (JP) | 2006-08-10 | — | — | WO | disclosed |