⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14528222 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL17272644 | 0.81 | — | — | |
| SCHEMBL10738083 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL6567442 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL6567440 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL6991693 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL15834846 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL14252537 | 0.71 | FFAR3 (0.33) | — | |
| SCHEMBL3767458 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL4884095 | 0.70 | GSK3B (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0153229-B1 | 1-DETHIA 2-THIA-CEPHALOSPORANIC ACID DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND THE COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1993-04-07 | — | — | EP | disclosed |
| EP-0153229-A2 | 1-Dethia 2-thia-cephalosporanic acid derivatives, process and intermediates for their preparation, their use as therapeutic agents and the compositions containing them | ROUSSEL-UCLAF (FR) | 1985-08-28 | — | — | EP | disclosed |