⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3480748 | 0.96 | — | — | |
| SCHEMBL3483623 | 0.85 | TRPV4 (0.33) | — | |
| SCHEMBL3483487 | 0.84 | LGALS8 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL3480292 | 0.84 | TRPV4 (0.32) | — | |
| SCHEMBL3483736 | 0.82 | TRPV4 (0.33) | — | |
| SCHEMBL14943033 | 0.81 | — | — | |
| SCHEMBL3483404 | 0.80 | PDPK1 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL3480227 | 0.80 | TRPV4 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL3480313 | 0.77 | PDPK1 (0.30) | — | |
| SCHEMBL3484069 | 0.76 | PDPK1 (0.30) | — |
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-2049200-B1 | NOVEL INHIBITORS OF BETA-LACTAMASE | METHYLGENE INC (CA) | 2015-04-29 | — | — | EP | claimed |
| US-8440643-B2 | Inhibitors of beta-lactamase | METHYLGENE INC. (CA) | 2013-05-14 | — | — | US | claimed |
| US-20100279983-A1 | NOVEL INHIBITORS OF BETA-LACTAMASE | METHYLGENE INC. | 2010-11-04 | — | — | US | claimed |