⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL799824 | 0.69 | — | — | |
| SCHEMBL799862 | 0.69 | NCF1 (0.30) | — | |
| SCHEMBL20929389 | 0.69 | — | — | |
| SCHEMBL25688121 | 0.67 | — | — | |
| SCHEMBL21465965 | 0.59 | NCF1 (0.31) | — | |
| SCHEMBL2741016 | 0.57 | — | — | |
| SCHEMBL81182 | 0.57 | — | — | |
| SCHEMBL10196624 | 0.57 | — | — | |
| SCHEMBL7374703 | 0.57 | SIGMAR1 (0.32) | — | |
| SCHEMBL19341611 | 0.57 | CHRNB2 (0.31) | — |
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-5364848-A | Elastase inhibitors | MERCK & CO., INC. (US) | 1994-11-15 | — | — | US | disclosed |
| US-5132301-A | Substituted cephalosporin sulfones as anti-inflammatory and anti-degenerative agents | MERCK & CO., INC. (US) | 1992-07-21 | — | — | US | disclosed |
| US-4845088-A | ANTIINFLAMMATORY, ANTIDEGENERATIVE AGENTS | MERCK & CO., INC. (US) | 1989-07-04 | — | — | US | disclosed |
| EP-0267723-A2 | New substituted cephalosporin sulfones as anti-inflammatory and anti-degenerative agents | MERCK & CO. INC. (US) | 1988-05-18 | — | — | EP | disclosed |
| US-4699904-A | ANTIINFLAMMATORY AND ANTIDEGENERATIVE AGENTS | MERCK & CO., INC. (US) | 1987-10-13 | — | — | US | disclosed |
| EP-0207447-A2 | Tetrazolyl derivatives of beta-lactams useful as elastase inhibitors | MERCK & CO. INC. (US) | 1987-01-07 | — | — | EP | disclosed |
| EP-0124081-A2 | New substituted cephalosporin sulfones as antiinflammatory and antidegenerative agents, pharmaceutical compositions containing the same and processes for making them | MERCK & CO. INC. (US) | 1984-11-07 | — | — | EP | disclosed |