⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL415332 | 0.81 | — | — | |
| SCHEMBL12879227 | 0.77 | MAPT (0.30) | — | |
| SCHEMBL10202903 | 0.77 | — | — | |
| SCHEMBL14699492 | 0.77 | KDM2B (0.30) | — | |
| SCHEMBL19798957 | 0.75 | BCHE (0.35) | — | |
| SCHEMBL13391543 | 0.73 | — | — | |
| SCHEMBL20052041 | 0.72 | — | — | |
| SCHEMBL14697656 | 0.72 | HPGD (0.42) | — | |
| SCHEMBL14697193 | 0.70 | EPHX1 (0.48) | — | |
| SCHEMBL15329099 | 0.69 | CHRM2 (0.43) | — |
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-20160024121-A1 | BETA-LACTAMASE INHIBITORS | VenatoRx Pharmaceuticals, Inc. | 2016-01-28 | — | — | US | disclosed |