⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6745199 | 0.74 | — | — | |
| SCHEMBL13884144 | 0.64 | TSHR (0.41) | — | |
| SCHEMBL9665495 | 0.63 | — | — | |
| SCHEMBL8536537 | 0.56 | HPGD (0.31) | — | |
| SCHEMBL3291746 | 0.53 | — | — | |
| SCHEMBL11359448 | 0.48 | — | — | |
| SCHEMBL23942971 | 0.47 | — | — | |
| SCHEMBL23398385 | 0.47 | GAA (0.38) | — | |
| SCHEMBL7549796 | 0.46 | — | — | |
| SCHEMBL23402535 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1399429-A1 | 1,3,4-OXADIAZOL-2-YL THIOESTERS AND THEIR USE FOR ACYLATING 7-AMINOCEPHALOSPORINS | Orchid Chemicals and Pharmaceuticals Ltd (IN) | 2004-03-24 | — | — | EP | claimed |
| WO-2003004477-A1 | 1,3,4-OXADIAZOL-2-YL THIOESTERS AND THEIR USE FOR ACYLATING 7-AMINOCEPHALOSPORINS | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2003-01-16 | — | — | WO | claimed |
| EP-1347970-A1 | NOVEL THIOESTER DERIVATIVES OF THIAZOLYL ACETIC ACID AND THEIR USE IN THE PREPARATION OF CEPHALOSPORIN COMPOUNDS | Orchid Chemicals and Pharmaceuticals Limited (IN) | 2003-10-01 | — | — | EP | disclosed |
| WO-2002053563-A1 | NOVEL THIOESTER DERIVATIVES OF THIAZOLYL ACETIC ACID AND THEIR USE IN THE PREPARATION OF CEPHALOSPORIN COMPOUNDS | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2002-07-11 | — | — | WO | disclosed |
| US-6388070-B1 | CHEMICAL INTERMEDIATE | ORCHID CHEMICALS & PHARMACEUTICALS LTD. (IN) | 2002-05-14 | — | — | US | disclosed |
| EP-0188781-B1 | 1-OXA-1-DETHIA-CEPHALOSPORIN COMPOUNDS AND ANTIBACTERIAL AGENT COMPRISING THE SAME | MERCK & CO. INC. (US) | 1990-10-24 | — | — | EP | disclosed |
| EP-0188781-A1 | 1-Oxa-1-dethia-cephalosporin compounds and antibacterial agent comprising the same | MERCK & CO. INC. (US) | 1986-07-30 | — | — | EP | disclosed |