⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6970930 | 0.80 | — | — | |
| SCHEMBL9928 | 0.78 | CYP3A4 (0.48) | — | |
| SCHEMBL14141607 | 0.77 | NPC1 (0.37) | — | |
| Ethylene SCHEMBL9717606 | 0.76 | CYP3A4 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL1972381 | 0.76 | CYP3A4 (0.46) | — | |
| SCHEMBL28554037 | 0.76 | CYP3A4 (0.46) | — | |
| SCHEMBL9551714 | 0.76 | CYP3A4 (0.46) | — | |
| Ethylene SCHEMBL3010758 | 0.76 | CYP3A4 (0.46) | — | |
| Hydrochloric Acid SCHEMBL6485439 | 0.76 | CYP3A4 (0.46) | — | |
| SCHEMBL3503010 | 0.75 | — | — |
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-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-0214029-B1 | 1-DETHIA-2-THIA CEPHALOSPORANIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1992-03-25 | — | — | EP | disclosed |
| EP-0076528-B1 | OXIME DERIVATIVES OF 3-ALKYLOXY OR 3-ALKYLTHIOMETHYL 7-AMINO-THIAZOLYLACETAMIDO-CEPHALOSPORANIC ACID AND THEIR PREPARATION | ROUSSEL-UCLAF (FR) | 1990-05-23 | — | — | EP | disclosed |
| EP-0104671-B1 | OXIME DERIVATIVES OF 3-ALKYLOXY OR 3-ALKYLTHIOMETHYL-7-AMINO-THIAZOLYLACETAMIDO-CEPHALOSPORANIC ACID, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1990-05-23 | — | — | EP | disclosed |
| EP-0282365-A1 | 1-Dethia-2-thia-cephalosporanic-acid derivatives, process for their preparation, their use as therapeutic agents and pharmaceutical compositions containing them | ROUSSEL-UCLAF (FR) | 1988-09-14 | — | — | EP | disclosed |
| EP-0214029-A1 | 1-Dethia-2-thia cephalosporanic-acid derivatives, process for their preparation, their use as therapeutic agents and pharmaceutical compositions containing them | ROUSSEL-UCLAF (FR) | 1987-03-11 | — | — | 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 |