⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18966777 | 0.95 | NAMPT (0.33) | — | |
| SCHEMBL18966645 | 0.94 | NAMPT (0.32) | — | |
| SCHEMBL18966996 | 0.93 | MTNR1A (0.34) | — | |
| SCHEMBL18966673 | 0.93 | — | — | |
| SCHEMBL18966799 | 0.92 | — | — | |
| SCHEMBL18966678 | 0.92 | NAMPT (0.30) | — | |
| SCHEMBL18957108 | 0.92 | PRKCB (0.31) | — | |
| SCHEMBL18957110 | 0.92 | PRKCB (0.31) | — | |
| SCHEMBL18957225 | 0.92 | PRKCB (0.34) | — | |
| SCHEMBL18957224 | 0.92 | PRKCB (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-10464952-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2019-11-05 | — | — | US | disclosed |
| WO-2017100537-A1 | BETA-LACTAMASE INHIBITORS | VenatoRx Pharmaceuticals, Inc. (US) | 2017-06-15 | — | — | WO | disclosed |