⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17464281 | 0.85 | — | — | |
| SCHEMBL19154844 | 0.71 | — | — | |
| SCHEMBL13389359 | 0.71 | CA1 (0.34) | — | |
| SCHEMBL12129011 | 0.69 | CHRNA7 (0.31) | — | |
| SCHEMBL12129040 | 0.69 | CHRNA7 (0.31) | — | |
| SCHEMBL10202903 | 0.69 | — | — | |
| SCHEMBL23710025 | 0.68 | — | — | |
| SCHEMBL7108405 | 0.68 | — | — | |
| SCHEMBL12701406 | 0.67 | MAPT (0.38) | — | |
| SCHEMBL18506891 | 0.67 | DPP4 (0.40) | — |
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 |