⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10773571 | 0.80 | — | — | |
| SCHEMBL13391924 | 0.77 | — | — | |
| SCHEMBL10772656 | 0.77 | CYP1A2 (0.32) | — | |
| SCHEMBL576823 | 0.65 | — | — | |
| SCHEMBL10772599 | 0.64 | — | — | |
| SCHEMBL10776474 | 0.60 | — | — | |
| SCHEMBL10776404 | 0.58 | — | — | |
| SCHEMBL23669404 | 0.57 | — | — | |
| SCHEMBL12056244 | 0.57 | — | — | |
| SCHEMBL282940 | 0.57 | — | — |
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-4710320-A | REACTING 1-AMINO-2-HALOGENO-4-HYDROXYANTHRAQUINONES WITH PHENOLS IN A SULFOLANE SOLVENT WITH AN ACID BINDING AGENT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1987-12-01 | — | — | US | disclosed |