⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL542452 | 0.79 | LMNA (0.36) | — | |
| SCHEMBL1362198 | 0.75 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL1364158 | 0.74 | AKR1B1 (0.32) | — | |
| SCHEMBL4620265 | 0.74 | AKR1B1 (0.32) | — | |
| SCHEMBL1362827 | 0.72 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL1363464 | 0.71 | ITGB2 (0.32) | — | |
| SCHEMBL1361476 | 0.70 | PIK3CD (0.33) | — | |
| SCHEMBL15989261 | 0.69 | HSD11B1 (0.34) | — | |
| SCHEMBL4621098 | 0.69 | — | — | |
| SCHEMBL1363394 | 0.69 | — | — |
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-8066977-B2 | Agent for permanent hair waving containing heterocyclic mercapto compound | SHOWA DENKO K.K. (JP) | 2011-11-29 | — | — | US | disclosed |
| EP-1883454-B1 | AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND | SHOWA DENKO KK (JP) | 2009-11-04 | — | — | EP | disclosed |
| US-20090208439-A1 | Agent for Permanent Hair Waving Containing Heterocyclic Mercapto Compound | SHOWA DENKO K.K. (JP) | 2009-08-20 | — | — | US | disclosed |