⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13240158 | 0.81 | GAA (0.59) | — | |
| SCHEMBL10270039 | 0.77 | ALDH1A1 (0.57) | — | |
| SCHEMBL11113480 | 0.77 | KMT2A (0.40) | — | |
| SCHEMBL12601072 | 0.77 | GAA (0.55) | — | |
| SCHEMBL12232725 | 0.76 | GAA (0.53) | — | |
| SCHEMBL10977302 | 0.76 | GAA (0.53) | — | |
| SCHEMBL28738897 | 0.74 | GAA (0.56) | — | |
| SCHEMBL7812310 | 0.74 | GAA (0.52) | — | |
| SCHEMBL27317175 | 0.73 | — | — | |
| SCHEMBL19884346 | 0.73 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0594263-B1 | INTERMEDIATES FOR THE PREPARATION OF THIOALKYLTHIO CEPHALOSPORIN DERIVATIVES | SHIONOGI & CO (JP) | 1999-06-09 | — | — | EP | disclosed |
| CN-1034504-C | Thioalkylthio cephalosporin derivatives | SHIONOGI & CO (JP) | 1997-04-09 | — | — | CN | disclosed |
| US-5352792-A | Bactericides | SHIONOGI & CO., LTD. (JP) | 1994-10-04 | — | — | US | disclosed |
| EP-0467647-B1 | Thioalkylthio cephalosporin derivatives | SHIONOGI & CO (JP) | 1994-08-17 | — | — | EP | disclosed |
| EP-0594263-A1 | Thioalkylthio cephalosporin derivatives and intermediates | SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) | 1994-04-27 | — | — | EP | disclosed |
| US-5214037-A | Antibiotic, bactericide | SHIONOGI & CO., LTD. (JP) | 1993-05-25 | — | — | US | disclosed |
| US-5116833-A | ANTIBIOTIC C-3 DITHIOACETAL-SUBSTITUTED CARBAPENEM COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-05-26 | — | — | US | disclosed |
| EP-0481511-A2 | Antibiotic C-3 dithioacetal-substituted carbapenem compounds, compositions, and use thereof | Bristol-Myers Squibb Company (US) | 1992-04-22 | — | — | EP | disclosed |
| EP-0467647-A2 | Thioalkylthio cephalosporin derivatives | SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) | 1992-01-22 | — | — | EP | disclosed |
| EP-0127847-A1 | 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives | HOECHST UK LIMITED (GB) | 1984-12-12 | — | — | EP | disclosed |