⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10772656 | 0.86 | CYP1A2 (0.32) | — | |
| SCHEMBL10776474 | 0.81 | — | — | |
| SCHEMBL10776451 | 0.80 | — | — | |
| SCHEMBL10772599 | 0.79 | — | — | |
| SCHEMBL10779363 | 0.74 | — | — | |
| SCHEMBL13391924 | 0.73 | — | — | |
| SCHEMBL17220925 | 0.70 | — | — | |
| SCHEMBL10773656 | 0.63 | — | — | |
| SCHEMBL910154 | 0.62 | — | — | |
| SCHEMBL18828488 | 0.62 | — | — |
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 |