⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18957217 | 0.96 | NAMPT (0.32) | — | |
| SCHEMBL18957215 | 0.96 | NAMPT (0.32) | — | |
| SCHEMBL18966651 | 0.93 | TSHR (0.33) | — | |
| SCHEMBL18957221 | 0.93 | TRPA1 (0.33) | — | |
| SCHEMBL18957222 | 0.93 | TRPA1 (0.33) | — | |
| SCHEMBL18957104 | 0.92 | TDP1 (0.30) | — | |
| SCHEMBL18957105 | 0.92 | TDP1 (0.30) | — | |
| SCHEMBL18966653 | 0.91 | PRKCB (0.32) | — | |
| SCHEMBL18966615 | 0.90 | — | — | |
| SCHEMBL18966680 | 0.90 | NAMPT (0.32) | — |
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 |