⚠ 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 | 0.85 | — | — | |
| SCHEMBL4133026 | 0.81 | — | — | |
| SCHEMBL3483946 | 0.62 | CA2 (0.38) | — | |
| SCHEMBL3483369 | 0.62 | — | — | |
| SCHEMBL5673919 | 0.57 | MT-CO2 (0.38) | — | |
| SCHEMBL22012129 | 0.56 | HTR2C (0.35) | — | |
| SCHEMBL6492174 | 0.56 | BRD4 (0.39) | — | |
| SCHEMBL833581 | 0.56 | PDPK1 (0.32) | — | |
| SCHEMBL16750373 | 0.56 | CA1 (0.43) | — | |
| SCHEMBL13234266 | 0.56 | GRM2 (0.41) | — |
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 |