⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13811980 | 0.64 | — | — | |
| SCHEMBL29909960 | 0.61 | — | — | |
| SCHEMBL12520917 | 0.61 | — | — | |
| SCHEMBL6664731 | 0.61 | HCAR2 (0.33) | — | |
| SCHEMBL5302364 | 0.60 | TRPA1 (0.34) | — | |
| SCHEMBL17080992 | 0.60 | — | — | |
| SCHEMBL29916509 | 0.60 | — | — | |
| SCHEMBL2043197 | 0.59 | CDC25B (0.35) | — | |
| SCHEMBL29542985 | 0.59 | CYP3A4 (0.33) | — | |
| SCHEMBL4455107 | 0.58 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040224951-A1 | 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors | ROARK WILLIAM HOWARD (US) | 2004-11-11 | — | — | US | disclosed |
| US-20040063673-A1 | Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors | JOHNSON ADAM RICHARD (US) | 2004-04-01 | — | — | US | disclosed |
| WO-2004014921-A1 | 5,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |
| WO-2004014384-A2 | CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |