⚠ 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 SCHEMBL3483491 | 0.93 | — | — | |
| SCHEMBL3483287 | 0.86 | TRPV4 (0.31) | — | |
| SCHEMBL13032276 | 0.84 | TRPV4 (0.30) | — | |
| SCHEMBL14161369 | 0.81 | ALOX5 (0.38) | — | |
| SCHEMBL3483526 | 0.80 | — | — | |
| SCHEMBL3483856 | 0.74 | TRPV4 (0.32) | — | |
| SCHEMBL3483483 | 0.73 | TRPV4 (0.33) | — | |
| SCHEMBL3483534 | 0.70 | TRPV4 (0.33) | — | |
| SCHEMBL13032325 | 0.70 | TRPV4 (0.34) | — | |
| SCHEMBL14931376 | 0.69 | ALOX5 (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 |
|---|---|---|---|---|---|---|---|
| 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 |