⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3483858 | 0.91 | — | — | |
| SCHEMBL4133028 | 0.81 | — | — | |
| SCHEMBL3483944 | 0.64 | CA2 (0.38) | — | |
| SCHEMBL3483365 | 0.63 | — | — | |
| SCHEMBL14931187 | 0.63 | CA2 (0.40) | — | |
| SCHEMBL14931390 | 0.62 | — | — | |
| SCHEMBL14931497 | 0.62 | CA2 (0.34) | — | |
| SCHEMBL14931218 | 0.60 | CA2 (0.34) | — | |
| SCHEMBL3480173 | 0.59 | STING1 (0.32) | — | |
| SCHEMBL3484071 | 0.58 | CA2 (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-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 |