⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18966472 | 0.91 | — | — | |
| SCHEMBL18966979 | 0.89 | — | — | |
| SCHEMBL18966977 | 0.89 | — | — | |
| SCHEMBL18966739 | 0.88 | — | — | |
| SCHEMBL18966978 | 0.87 | — | — | |
| SCHEMBL18966773 | 0.86 | — | — | |
| SCHEMBL18966538 | 0.86 | — | — | |
| SCHEMBL18966963 | 0.85 | — | — | |
| SCHEMBL18966746 | 0.83 | — | — | |
| SCHEMBL18966958 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017100537-A1 | BETA-LACTAMASE INHIBITORS | VenatoRx Pharmaceuticals, Inc. (US) | 2017-06-15 | — | — | WO | disclosed |