⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6600564 | 0.79 | — | — | |
| SCHEMBL8984099 | 0.76 | TTR (0.43) | — | |
| SCHEMBL16179067 | 0.65 | — | — | |
| SCHEMBL16689103 | 0.65 | TNKS2 (0.31) | — | |
| SCHEMBL4059268 | 0.60 | — | — | |
| SCHEMBL13012401 | 0.60 | — | — | |
| SCHEMBL3369545 | 0.60 | — | — | |
| SCHEMBL16061111 | 0.60 | — | — | |
| SCHEMBL15662002 | 0.60 | — | — | |
| SCHEMBL28903880 | 0.60 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040072802-A1 | Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha | DUAN JINGWU (US) | 2004-04-15 | — | — | US | disclosed |
| EP-1263756-B1 | BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2004-02-25 | — | — | EP | disclosed |
| US-6495565-B2 | FOR THERAPY OF ACUTE INFECTION, ACUTE PHASE RESPONSE, AGE RELATED MACULAR DEGENERATION, ALCOHOLISM, ANOREXIA, ASTHMA, AUTOIMMUNE DISEASE, AUTOIMMUNE HEPATITIS, BECHET'S DISEASE, CACHEXIA, CALCIUM PYROPHOSPHATE DIHYDRTATE DEPOSITION | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-12-17 | — | — | US | disclosed |
| US-20020013341-A1 | Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-01-31 | — | — | US | disclosed |
| US-4055578-A | FLAVORS, ORGANOLEPTIC | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-10-25 | — | — | US | disclosed |
| US-4020175-A | MEAT AROMA AND FLAVOR | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-04-26 | — | — | US | disclosed |