⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13695036 | 0.86 | KDM4A (0.32) | — | |
| SCHEMBL10104234 | 0.86 | KMT2A (0.35) | — | |
| SCHEMBL14392763 | 0.82 | KMT2A (0.32) | — | |
| SCHEMBL16070306 | 0.81 | KDM4A (0.35) | — | |
| SCHEMBL13695038 | 0.78 | MEN1 (0.49) | — | |
| SCHEMBL16070353 | 0.78 | KMT2A (0.35) | — | |
| SCHEMBL21005825 | 0.77 | — | — | |
| SCHEMBL13695010 | 0.76 | GRM5 (0.35) | — | |
| SCHEMBL17733977 | 0.76 | MEN1 (0.41) | — | |
| SCHEMBL14392878 | 0.75 | KMT2A (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009109457-A2 | COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING AT LEAST ONE DIRECT DYE COMPRISING A DISULPHIDE/PROTECTED-THIOL FUNCTION AND AT LEAST ONE SILICEOUS COMPOUND COMPRISING A THIOL FUNCTION AND METHOD USING THE COMPOSITION | L'OREAL (FR) | 2009-09-11 | — | — | WO | disclosed |