⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3480863 | 0.97 | PTPN1 (0.30) | — | |
| SCHEMBL3480368 | 0.96 | — | — | |
| SCHEMBL3480460 | 0.82 | CA2 (0.34) | — | |
| SCHEMBL3480166 | 0.79 | INPPL1 (0.30) | — | |
| SCHEMBL3480581 | 0.79 | S1PR1 (0.34) | — | |
| SCHEMBL3480321 | 0.79 | — | — | |
| SCHEMBL3480336 | 0.78 | — | — | |
| SCHEMBL3480350 | 0.78 | — | — | |
| SCHEMBL3480334 | 0.76 | — | — | |
| SCHEMBL3480394 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100317625-A1 | NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE | 92229129 QUEBEC INC. (CA) | 2010-12-16 | — | — | US | disclosed |