⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3483527 | 0.89 | — | — | |
| SCHEMBL16667139 | 0.84 | — | — | |
| SCHEMBL16667438 | 0.83 | — | — | |
| SCHEMBL14931488 | 0.81 | TRPV4 (0.35) | — | |
| SCHEMBL16667526 | 0.78 | — | — | |
| SCHEMBL3483910 | 0.78 | — | — | |
| SCHEMBL14931489 | 0.78 | TRPV4 (0.35) | — | |
| SCHEMBL3483227 | 0.75 | — | — | |
| SCHEMBL3480026 | 0.75 | CA1 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL3483740 | 0.74 | TMPRSS6 (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 |