⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL574803 | 0.71 | — | — | |
| SCHEMBL314498 | 0.69 | — | — | |
| SCHEMBL104938 | 0.69 | — | — | |
| SCHEMBL7612472 | 0.67 | — | — | |
| SCHEMBL31142098 | 0.67 | — | — | |
| Water SCHEMBL27978220 | 0.67 | — | — | |
| SCHEMBL5580599 | 0.65 | — | — | |
| SCHEMBL9225112 | 0.65 | — | — | |
| SCHEMBL583361 | 0.65 | — | — | |
| SCHEMBL2594273 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100297049-A1 | LIGHTENING AND/OR DYEING OF HUMAN KERATIN FIBRES BY MEANS OF A COMPOSITION COMPRISING A PARTICULAR AMINO SILICON COMPOUND AND COMPOSITION AND DEVICE | L'OREAL S.A. (FR) | 2010-11-25 | — | — | US | disclosed |