⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28675174 | 0.85 | EPHX1 (0.30) | — | |
| SCHEMBL28642888 | 0.76 | KCNA4 (0.32) | — | |
| SCHEMBL14690356 | 0.73 | — | — | |
| SCHEMBL23276985 | 0.70 | — | — | |
| SCHEMBL29253940 | 0.70 | USP2 (0.33) | — | |
| SCHEMBL13447356 | 0.69 | KCNA4 (0.31) | — | |
| SCHEMBL3400975 | 0.68 | LMNA (0.41) | — | |
| SCHEMBL29221204 | 0.67 | — | — | |
| SCHEMBL28661841 | 0.67 | ALOX15 (0.35) | — | |
| SCHEMBL1871799 | 0.66 | PKM (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107922394-B | 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors | 默沙东公司 | 2021-07-13 | — | — | CN | disclosed |