⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14625448 | 0.67 | — | — | |
| SCHEMBL11127532 | 0.60 | — | — | |
| SCHEMBL5701809 | 0.56 | — | — | |
| SCHEMBL19350244 | 0.56 | — | — | |
| SCHEMBL4761238 | 0.56 | — | — | |
| SCHEMBL4685684 | 0.56 | — | — | |
| Water SCHEMBL20138513 | 0.53 | — | — | |
| SCHEMBL425364 | 0.53 | — | — | |
| SCHEMBL2981077 | 0.53 | — | — | |
| SCHEMBL3076660 | 0.53 | — | — |
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-6599943-B1 | Preventive treatment, related to the radical generating nature of the xanthine dehydrogenase/xanthine oxidase | WAPHARM AB (SE) | 2003-07-29 | — | — | US | disclosed |