⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1985304 | 0.83 | — | — | |
| SCHEMBL28659610 | 0.80 | — | — | |
| SCHEMBL1509118 | 0.79 | KEAP1 (0.31) | — | |
| Bromide SCHEMBL31536069 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL31492399 | 0.77 | KEAP1 (0.30) | — | |
| SCHEMBL11831406 | 0.77 | SIGMAR1 (0.31) | — | |
| Bromide SCHEMBL29145868 | 0.77 | KEAP1 (0.30) | — | |
| SCHEMBL1996789 | 0.76 | — | — | |
| SCHEMBL7219785 | 0.76 | — | — | |
| SCHEMBL5801152 | 0.76 | — | — |
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-0282365-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) | 1993-05-12 | — | — | 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 |