⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7662490 | 0.73 | BRD4 (0.39) | — | |
| SCHEMBL16885241 | 0.71 | BRD4 (0.40) | — | |
| SCHEMBL6403541 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL23318493 | 0.71 | CA2 (0.33) | — | |
| SCHEMBL6405613 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL8180406 | 0.67 | BRD4 (0.43) | — | |
| SCHEMBL8840809 | 0.65 | TSHR (0.44) | — | |
| SCHEMBL8181736 | 0.65 | CA2 (0.39) | — | |
| SCHEMBL8182986 | 0.64 | MAOA (0.39) | — | |
| SCHEMBL8312946 | 0.64 | CYP4F2 (0.39) | — |
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 5 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 |
| 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 |