⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14193671 | 0.90 | ENPP2 (0.35) | — | |
| SCHEMBL13135043 | 0.88 | ENPP2 (0.34) | — | |
| SCHEMBL14193715 | 0.88 | ENPP2 (0.31) | — | |
| SCHEMBL14223300 | 0.80 | ENPP2 (0.41) | — | |
| SCHEMBL13174626 | 0.77 | ENPP2 (0.38) | — | |
| SCHEMBL14193701 | 0.76 | PRMT3 (0.40) | — | |
| SCHEMBL15763834 | 0.72 | ENPP2 (0.36) | — | |
| SCHEMBL18466317 | 0.71 | ENPP2 (0.44) | — | |
| SCHEMBL14193698 | 0.71 | ENPP2 (0.42) | — | |
| SCHEMBL14021970 | 0.70 | FUT8 (0.48) | — |
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-20100242188-A1 | COMPOSITION FOR COLOURING KERATINOUS MATERIAL USING A SUPRA-MOLECULAR COLOURING SYSTEM | L'OREAL S.A. (FR) | 2010-09-30 | — | — | US | disclosed |