⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL487031 | 0.58 | — | — | |
| Iodide SCHEMBL9321968 | 0.58 | — | — | |
| SCHEMBL11156595 | 0.54 | — | — | |
| SCHEMBL4745258 | 0.52 | — | — | |
| SCHEMBL6668817 | 0.52 | — | — | |
| SCHEMBL15511247 | 0.49 | — | — | |
| SCHEMBL12328032 | 0.48 | — | — | |
| SCHEMBL15780223 | 0.40 | — | — | |
| SCHEMBL6014437 | 0.40 | — | — | |
| SCHEMBL13937854 | 0.40 | — | — |
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-5961667-A | Dyeing hair with compositions which contain oxidation dye precursor compounds, alkaline earth metal peroxides and inorganic or organic acids | WELLA AG (DE) | 1999-10-05 | — | — | US | claimed |
| CN-116763672-A | Preparation formula and method of air-oxidized single-agent hair dyeing product | 佛山市喜妆化妆品有限公司 | 2023-09-19 | — | — | CN | disclosed |
| EP-0858796-B2 | Oxidative hair dye | WELLA AG (DE) | 2007-04-11 | — | — | EP | disclosed |