⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8442072 | 0.79 | — | — | |
| SCHEMBL1281771 | 0.73 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL28813721 | 0.72 | — | — | |
| Water SCHEMBL1982282 | 0.71 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL6771509 | 0.71 | — | — | |
| SCHEMBL2652668 | 0.70 | CYP1A2 (0.39) | — | |
| SCHEMBL10362695 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL11344228 | 0.69 | CES2 (0.32) | — | |
| SCHEMBL5865738 | 0.68 | SLC6A2 (0.45) | — | |
| SCHEMBL10697637 | 0.68 | KCNN4 (0.41) | — |
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-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 |
| EP-0467647-A2 | Thioalkylthio cephalosporin derivatives | SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) | 1992-01-22 | — | — | EP | disclosed |