⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19764 | 0.90 | — | — | |
| Bromide SCHEMBL5132861 | 0.87 | — | — | |
| SCHEMBL30127714 | 0.87 | — | — | |
| Iodide SCHEMBL1514188 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL4232136 | 0.87 | — | — | |
| SCHEMBL3390485 | 0.86 | — | — | |
| Fluoride SCHEMBL18343096 | 0.85 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3800886 | 0.74 | KCNH2 (0.35) | — | |
| Water SCHEMBL15295406 | 0.74 | — | — | |
| SCHEMBL1753864 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017184953-A1 | IONIC LIQUID CATALYST IN SULFUR-CONTAINING POLYMER COMPOSITIONS | PRC-DESOTO INTERNATIONAL, INC. (US) | 2017-10-26 | — | — | WO | disclosed |