⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4551951 | 0.80 | — | — | |
| SCHEMBL3480897 | 0.73 | — | — | |
| SCHEMBL3480211 | 0.67 | — | — | |
| SCHEMBL4437747 | 0.63 | — | — | |
| SCHEMBL3480299 | 0.62 | STING1 (0.30) | — | |
| SCHEMBL3483527 | 0.62 | — | — | |
| SCHEMBL3480226 | 0.60 | — | — | |
| SCHEMBL3480793 | 0.58 | — | — | |
| SCHEMBL4206384 | 0.58 | — | — | |
| SCHEMBL3480339 | 0.57 | — | — |
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-2024376-A1 | NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE | Merck & Co., Inc. (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007139729-A1 | NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2007-12-06 | — | — | WO | disclosed |