⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL16857677 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL5461842 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL5499678 | 0.64 | PAOX (0.32) | — | |
| SCHEMBL2880291 | 0.63 | TGFBR1 (0.32) | — | |
| SCHEMBL27525063 | 0.63 | KDM4E (0.37) | — | |
| SCHEMBL12057384 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL1459186 | 0.62 | NPC1 (0.36) | — | |
| SCHEMBL22267414 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL299327 | 0.61 | NPC1 (0.35) | — | |
| SCHEMBL27555247 | 0.61 | ALDH1A1 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150114424-A1 | SHAPING AGENT FOR KERATINOUS FIBRES AND HAIR SHAPING METHOD | HENKEL AG & CO. KGAA (DE) | 2015-04-30 | — | — | US | disclosed |
| US-20120060856-A1 | Cosmetic Composition and Reshaping Method for Keratinic Fibers | HENKEL AG & CO. KGAA (DE) | 2012-03-15 | — | — | US | disclosed |