⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20215761 | 0.61 | — | — | |
| SCHEMBL17508967 | 0.52 | — | — | |
| Iodide SCHEMBL16961520 | 0.47 | — | — | |
| SCHEMBL18467495 | 0.46 | — | — | |
| SCHEMBL19413662 | 0.46 | — | — | |
| SCHEMBL21516128 | 0.44 | — | — | |
| SCHEMBL3338127 | 0.41 | — | — | |
| SCHEMBL18869 | 0.36 | — | — | |
| Potassium Iodide SCHEMBL28981500 | 0.32 | — | — | |
| SCHEMBL1465460 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3323812-A1 | ARYLALKYL-AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS | Parion Sciences, Inc. (US) | 2018-05-23 | — | — | EP | disclosed |