⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3483635 | 0.70 | CYP2A6 (0.36) | — | |
| SCHEMBL14931271 | 0.69 | CYP2A6 (0.37) | — | |
| SCHEMBL3484002 | 0.68 | CA2 (0.49) | — | |
| SCHEMBL11094998 | 0.68 | ALDH1A1 (0.43) | — | |
| SCHEMBL11163495 | 0.66 | DYRK1A (0.34) | — | |
| SCHEMBL5440974 | 0.66 | CYP2A6 (0.46) | — | |
| SCHEMBL3483612 | 0.65 | CYP3A4 (0.39) | — | |
| SCHEMBL18876006 | 0.65 | CYP2A6 (0.42) | — | |
| SCHEMBL31449821 | 0.65 | IMPDH2 (0.37) | — | |
| SCHEMBL3483663 | 0.65 | ALDH1A1 (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 3 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 |