⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20052039 | 0.85 | — | — | |
| SCHEMBL1183666 | 0.73 | GAA (0.34) | — | |
| SCHEMBL1184698 | 0.73 | GAA (0.34) | — | |
| SCHEMBL799514 | 0.73 | GAA (0.34) | — | |
| SCHEMBL3429440 | 0.72 | MAPK1 (0.40) | — | |
| SCHEMBL3428847 | 0.72 | MAPK1 (0.40) | — | |
| SCHEMBL14438561 | 0.72 | MAPK1 (0.40) | — | |
| SCHEMBL22834149 | 0.71 | — | — | |
| SCHEMBL14156694 | 0.70 | — | — | |
| SCHEMBL17284483 | 0.69 | GAA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9944658-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2018-04-17 | — | — | US | disclosed |