⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1441521 | 0.78 | — | — | |
| SCHEMBL14431369 | 0.70 | — | — | |
| SCHEMBL1324159 | 0.70 | — | — | |
| SCHEMBL6332429 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL23581008 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL691435 | 0.68 | — | — | |
| SCHEMBL28666675 | 0.67 | GABRA1 (0.33) | — | |
| SCHEMBL14701442 | 0.67 | — | — | |
| SCHEMBL15342519 | 0.65 | — | — | |
| SCHEMBL25125326 | 0.65 | TLR4 (0.34) | — |
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 |