⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6784479 | 0.95 | — | — | |
| SCHEMBL42752 | 0.87 | — | — | |
| SCHEMBL6790306 | 0.86 | LMNA (0.34) | — | |
| SCHEMBL22612295 | 0.84 | — | — | |
| SCHEMBL6781446 | 0.84 | LMNA (0.33) | — | |
| SCHEMBL6787503 | 0.82 | LMNA (0.36) | — | |
| SCHEMBL6785814 | 0.81 | LMNA (0.34) | — | |
| SCHEMBL41751 | 0.81 | LMNA (0.33) | — | |
| SCHEMBL6785026 | 0.79 | LMNA (0.33) | — | |
| SCHEMBL1935895 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20040259992-A1 | Two-component adhesion promoter combination of an unsaturated alkoxysilane and a mercaptoalkyl alkoxysilane, for use in dental prostheses | 3M ESPE AG (DE) | 2004-12-23 | — | — | US | disclosed |