⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24220954 | 0.79 | CYP2D6 (0.40) | — | |
| SCHEMBL25448178 | 0.79 | CYP2D6 (0.40) | — | |
| SCHEMBL11039951 | 0.78 | — | — | |
| SCHEMBL10152970 | 0.74 | MAPK1 (0.36) | — | |
| SCHEMBL23419109 | 0.74 | — | — | |
| SCHEMBL30807097 | 0.72 | RNPEP (0.38) | — | |
| SCHEMBL14421430 | 0.72 | — | — | |
| SCHEMBL13423113 | 0.72 | — | — | |
| SCHEMBL10961166 | 0.71 | RNPEP (0.41) | — | |
| SCHEMBL25448204 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170327515-A1 | Broad Spectrum Beta-Lactamase Inhibitors | SOPHARMIA, INC. | 2017-11-16 | — | — | US | disclosed |
| US-9809605-B1 | Broad spectrum beta-lactamase inhibitors | GLADIUS PHARMACEUTICALS CORPORATION (CA) | 2017-11-07 | — | — | US | disclosed |
| CN-1229693-C | Optical enhancement right photoetching rubber composite and sulfonium salt | SUMITOMO CHEMICAL CO (JP) | 2005-11-30 | — | — | CN | disclosed |