⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14931390 | 0.84 | — | — | |
| SCHEMBL3483365 | 0.81 | — | — | |
| SCHEMBL3483182 | 0.77 | — | — | |
| SCHEMBL3483859 | 0.72 | PDIA6 (0.33) | — | |
| SCHEMBL3484161 | 0.71 | PFKFB4 (0.36) | — | |
| SCHEMBL3483419 | 0.71 | PFKFB4 (0.41) | — | |
| SCHEMBL3483207 | 0.70 | CA2 (0.37) | — | |
| SCHEMBL14931277 | 0.70 | PFKFB4 (0.33) | — | |
| SCHEMBL3480176 | 0.69 | STING1 (0.33) | — | |
| SCHEMBL3480885 | 0.68 | STING1 (0.32) | — |
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-2049200-B1 | NOVEL INHIBITORS OF BETA-LACTAMASE | METHYLGENE INC (CA) | 2015-04-29 | — | — | EP | disclosed |
| US-20100279983-A1 | NOVEL INHIBITORS OF BETA-LACTAMASE | METHYLGENE INC. | 2010-11-04 | — | — | US | disclosed |