⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20974454 | 1.00 | — | — | |
| SCHEMBL31396913 | 0.84 | — | — | |
| SCHEMBL31396922 | 0.84 | — | — | |
| SCHEMBL31396890 | 0.84 | — | — | |
| SCHEMBL31396931 | 0.84 | — | — | |
| SCHEMBL20974029 | 0.84 | — | — | |
| SCHEMBL18342420 | 0.79 | — | — | |
| SCHEMBL18342421 | 0.79 | — | — | |
| SCHEMBL14909473 | 0.79 | SLC1A3 (0.31) | — | |
| SCHEMBL14909415 | 0.79 | SLC1A3 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3313832-B1 | 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME (US) | 2021-02-24 | — | — | EP | disclosed |
| US-10544130-B2 | Metallo-beta-lactamase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2020-01-28 | — | — | US | disclosed |
| US-20190144432-A1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2019-05-16 | — | — | US | disclosed |