⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4126130 | 1.00 | — | — | |
| Acetic Acid SCHEMBL5918639 | 0.95 | — | — | |
| Acetic Acid SCHEMBL5918641 | 0.95 | — | — | |
| Acetic Acid SCHEMBL5918635 | 0.94 | — | — | |
| SCHEMBL3938896 | 0.83 | — | — | |
| SCHEMBL3938899 | 0.83 | — | — | |
| SCHEMBL3934615 | 0.80 | — | — | |
| Acetic Acid SCHEMBL5918858 | 0.78 | — | — | |
| Acetic Acid SCHEMBL5918851 | 0.78 | — | — | |
| Acetic Acid SCHEMBL5918855 | 0.78 | — | — |
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-1609459-B1 | Use of polycationic compounds for dyeing keratinous fibers | OREAL (FR) | 2009-04-08 | — | — | EP | disclosed |
| EP-1609459-A1 | Use of polycationic compounds for dyeing keratinous fibers | L'OREAL (FR) | 2005-12-28 | — | — | EP | disclosed |