⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3483677 | 0.68 | CA2 (0.31) | — | |
| SCHEMBL3484149 | 0.53 | CA2 (0.40) | — | |
| SCHEMBL16667240 | 0.52 | PLAU (0.32) | — | |
| SCHEMBL4427998 | 0.46 | SMN1; SMN2 (0.55) | — | |
| SCHEMBL6910976 | 0.44 | KMT2A (0.49) | — | |
| SCHEMBL6910975 | 0.42 | CA2 (0.60) | — | |
| SCHEMBL2098741 | 0.42 | FABP4 (0.51) | — | |
| SCHEMBL23568845 | 0.38 | CCR4 (0.40) | — | |
| SCHEMBL11238454 | 0.36 | HPGD (0.43) | — | |
| Phosphoric Acid SCHEMBL29104839 | 0.34 | — | — |
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 | disclosed |
| US-20100279983-A1 | NOVEL INHIBITORS OF BETA-LACTAMASE | METHYLGENE INC. | 2010-11-04 | — | — | US | disclosed |