⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3943875 | 0.97 | NPC1 (0.30) | — | |
| SCHEMBL3932562 | 0.87 | — | — | |
| SCHEMBL3935367 | 0.86 | — | — | |
| SCHEMBL3939856 | 0.85 | — | — | |
| Acetic Acid SCHEMBL5918747 | 0.81 | — | — | |
| SCHEMBL3944200 | 0.75 | THRB (0.38) | — | |
| SCHEMBL3933883 | 0.74 | — | — | |
| SCHEMBL3933888 | 0.74 | — | — | |
| SCHEMBL3939173 | 0.70 | MEN1 (0.40) | — | |
| Acetic Acid SCHEMBL5918834 | 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 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 |