⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6956747 | 0.86 | TRPA1 (0.41) | — | |
| SCHEMBL6919819 | 0.84 | DPP4 (0.47) | — | |
| Hydrochloric Acid SCHEMBL5855503 | 0.82 | DPP4 (0.46) | — | |
| SCHEMBL5950530 | 0.82 | — | — | |
| SCHEMBL8090072 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL13932720 | 0.82 | KCNN4 (0.38) | — | |
| SCHEMBL6742593 | 0.82 | PARP1 (0.40) | — | |
| SCHEMBL7914588 | 0.82 | — | — | |
| SCHEMBL12615990 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL6962835 | 0.79 | ADRA2B (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-6610731-B2 | Antiinflammatory | BRISTOL-MYERS SQUIBB COMPANY | 2003-08-26 | — | — | US | disclosed |
| US-6403632-B1 | CYCLIC AMIDE DERIVATIVE | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2002-06-11 | — | — | 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 |
| US-6057336-A | ANTIINFLAMMATORY AGENTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-05-02 | — | — | US | disclosed |