⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23829690 | 0.67 | — | — | |
| SCHEMBL7055838 | 0.67 | — | — | |
| SCHEMBL333675 | 0.67 | — | — | |
| SCHEMBL2701192 | 0.67 | — | — | |
| SCHEMBL16436873 | 0.67 | — | — | |
| SCHEMBL17760704 | 0.64 | — | — | |
| SCHEMBL7168792 | 0.63 | — | — | |
| SCHEMBL28149037 | 0.63 | — | — | |
| SCHEMBL27378001 | 0.63 | — | — | |
| SCHEMBL208475 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4845088-A | ANTIINFLAMMATORY, ANTIDEGENERATIVE AGENTS | MERCK & CO., INC. (US) | 1989-07-04 | — | — | US | 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 |