⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3483361 | 0.96 | TRPV4 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL3484067 | 0.92 | — | — | |
| Trifluoroacetic Acid SCHEMBL3480474 | 0.92 | CACNA1B (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL3480462 | 0.91 | PFKFB4 (0.31) | — | |
| SCHEMBL3484084 | 0.88 | — | — | |
| SCHEMBL3483565 | 0.87 | TRPV4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3483594 | 0.86 | TRPV4 (0.31) | — | |
| SCHEMBL3483637 | 0.86 | TRPV4 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL3948279 | 0.84 | TRPV4 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL3483538 | 0.84 | CACNA1B (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 5 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-20100279983-A1 | NOVEL INHIBITORS OF BETA-LACTAMASE | METHYLGENE INC. | 2010-11-04 | — | — | US | disclosed |
| EP-2049200-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MethylGene Inc. (CA) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008073142-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2008-06-19 | — | — | WO | disclosed |