⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3480187 | 0.89 | MMP13 (0.33) | — | |
| SCHEMBL3480173 | 0.81 | STING1 (0.32) | — | |
| SCHEMBL3480882 | 0.79 | STING1 (0.32) | — | |
| SCHEMBL3480078 | 0.77 | PPARA (0.32) | — | |
| SCHEMBL3483204 | 0.74 | CA2 (0.37) | — | |
| SCHEMBL3483867 | 0.71 | AKR1B1 (0.36) | — | |
| SCHEMBL3483180 | 0.71 | — | — | |
| SCHEMBL3480669 | 0.70 | CA2 (0.41) | — | |
| SCHEMBL3483836 | 0.70 | MCL1 (0.34) | — | |
| SCHEMBL3480191 | 0.70 | MMP13 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049200-B1 | NOVEL INHIBITORS OF BETA-LACTAMASE | METHYLGENE INC (CA) | 2015-04-29 | — | — | EP | disclosed |
| US-8440643-B2 | Inhibitors of beta-lactamase | METHYLGENE INC. (CA) | 2013-05-14 | — | — | US | disclosed |
| US-20100317625-A1 | NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE | 92229129 QUEBEC INC. (CA) | 2010-12-16 | — | — | US | disclosed |
| US-20100279983-A1 | NOVEL INHIBITORS OF BETA-LACTAMASE | METHYLGENE INC. | 2010-11-04 | — | — | US | disclosed |