⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2134504 | 0.89 | MEN1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL2534309 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL3055207 | 0.82 | — | — | |
| SCHEMBL2132542 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL2538140 | 0.81 | — | — | |
| SCHEMBL2134496 | 0.80 | MEN1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL4625074 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL2534305 | 0.77 | — | — | |
| SCHEMBL3731253 | 0.77 | — | — | |
| SCHEMBL2132540 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2175830-B1 | COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES | ORÉAL L (FR) | 2015-09-30 | — | — | EP | disclosed |
| US-20100275388-A1 | COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES | L'OREAL S.A. (FR) | 2010-11-04 | — | — | US | disclosed |