⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8830017 | 0.83 | MPO (0.34) | — | |
| SCHEMBL12256539 | 0.79 | — | — | |
| SCHEMBL31332900 | 0.77 | — | — | |
| SCHEMBL2397441 | 0.77 | — | — | |
| SCHEMBL7358092 | 0.74 | MPO (0.34) | — | |
| SCHEMBL28192126 | 0.67 | MAPK14 (0.40) | — | |
| SCHEMBL28192683 | 0.67 | ADORA2A (0.37) | — | |
| SCHEMBL3323565 | 0.64 | — | — | |
| SCHEMBL27574964 | 0.64 | — | — | |
| SCHEMBL12290763 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107406436-A | Oxinane yl-benzamide derivatives | 伊莱利利公司 | 2017-11-28 | — | — | CN | disclosed |
| US-6689771-B2 | TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-02-10 | — | — | US | disclosed |
| US-6376665-B1 | ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-04-23 | — | — | US | disclosed |
| EP-1165500-A1 | AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE | Du Pont Pharmaceuticals Company (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059874-A1 | NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-10-12 | — | — | WO | disclosed |