⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL584300 | 0.84 | — | — | |
| SCHEMBL8362725 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL4015648 | 0.81 | — | — | |
| Water SCHEMBL28212767 | 0.81 | — | — | |
| Trimethylammonium SCHEMBL28847888 | 0.81 | — | — | |
| Bromide SCHEMBL28104114 | 0.81 | — | — | |
| SCHEMBL27878140 | 0.78 | — | — | |
| Trimethylammonium SCHEMBL28139747 | 0.77 | — | — | |
| Trimethylammonium SCHEMBL28139748 | 0.77 | — | — | |
| Acetic Acid SCHEMBL5547289 | 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 |
|---|---|---|---|---|---|---|---|
| CN-104394836-B | Including at least one sulfur-bearing reducing agent, at least one fatty material, at least one cationic surfactant and at least one oxyethylation nonionic surface active agent reducing composition | 欧莱雅 | 2018-08-10 | — | — | CN | disclosed |
| CN-106890099-A | Based on ellagic acid or derivatives thereof and second composition of different activities compound | 欧莱雅 | 2017-06-27 | — | — | CN | disclosed |
| CN-105492079-A | Composition comprising an aminosilicone, a cationic surfactant, an associative polymer and a thickener | OREAL | 2016-04-13 | — | — | CN | disclosed |