⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1014198 | 0.73 | — | — | |
| SCHEMBL28355388 | 0.65 | — | — | |
| SCHEMBL28074158 | 0.63 | TSHR (0.35) | — | |
| SCHEMBL21003866 | 0.61 | — | — | |
| SCHEMBL28500776 | 0.61 | — | — | |
| SCHEMBL4632497 | 0.60 | — | — | |
| SCHEMBL501536 | 0.60 | — | — | |
| SCHEMBL6395346 | 0.60 | — | — | |
| SCHEMBL501535 | 0.60 | — | — | |
| SCHEMBL9480582 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0936912-A4 | INHIBITORS OF CYSTEINE PROTEASE | SMITHKLINE BEECHAM CORP (US) | 1999-10-13 | — | — | EP | disclosed |
| EP-0936912-A1 | INHIBITORS OF CYSTEINE PROTEASE | SMITHKLINE BEECHAM CORPORATION (US) | 1999-08-25 | — | — | EP | disclosed |
| WO-1998005336-A1 | INHIBITORS OF CYSTEINE PROTEASE | SMITHKLINE BEECHAM CORPORATION (US) | 1998-02-12 | — | — | WO | disclosed |
| EP-0170192-A1 | Penicillin derivatives as anti-inflammatory and antidegenerative agents | MERCK & CO. INC. (US) | 1986-02-05 | — | — | EP | disclosed |
| EP-0134301-A1 | 6-(1'-Hydroxyethyl)-3-substituted amino-1-azabicyclo(3.2.0)-hept-2-en-7-one-2-carboxylic acid | MERCK & CO. INC. (US) | 1985-03-20 | — | — | EP | disclosed |
| US-4465687-A | ANTIARTHRITIC AGENT, ENZYME INHIBITOR | MERCK & CO., INC. (US) | 1984-08-14 | — | — | US | disclosed |
| EP-0002210-A1 | 6- and 6,6- disubstituted-2-substituted-pen-2-em-3-carboxylic acids; processes for their preparation and pharmaceutical compositions containing such compounds | MERCK & CO. INC. (US) | 1979-06-13 | — | — | EP | disclosed |
| EP-0001265-A1 | O-, N- and carboxyl derivatives of thienamycin sulfoxide and sulfone, their preparation and pharmaceuticals containing said compounds | MERCK & CO. INC. (US) | 1979-04-04 | — | — | EP | disclosed |