⚠ 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 | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL754454 | 0.95 | — | — | |
| Ethylamine SCHEMBL1226510 | 0.92 | — | — | |
| Methylamine SCHEMBL358320 | 0.89 | — | — | |
| SCHEMBL24959 | 0.89 | — | — | |
| SCHEMBL28543858 | 0.88 | DNM1 (0.35) | — | |
| SCHEMBL568746 | 0.88 | DNM1 (0.46) | — | |
| Butylamine SCHEMBL686630 | 0.88 | DNM1 (0.40) | — | |
| SCHEMBL1030820 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL27896209 | 0.86 | DNM1 (0.33) | — | |
| SCHEMBL6784233 | 0.86 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116940328-A | A method for dyeing keratin materials, which comprises using an organosilicon compound, a dyeing compound, a sealant and a pretreatment agent | 汉高股份有限及两合公司 | 2023-10-24 | — | — | CN | disclosed |