⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29372284 | 0.76 | — | — | |
| SCHEMBL9500891 | 0.72 | — | — | |
| Bromide SCHEMBL125963 | 0.68 | — | — | |
| Fluoride Ion SCHEMBL944559 | 0.68 | — | — | |
| Bromide SCHEMBL302507 | 0.68 | ALDH1A1 (0.43) | — | |
| Water SCHEMBL105621 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL123265 | 0.68 | — | — | |
| SCHEMBL3836952 | 0.68 | — | — | |
| Iodide SCHEMBL660342 | 0.68 | — | — | |
| SCHEMBL7174814 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3604276-A1 | NEW COMPONENTS FOR ELECTROLYTE COMPOSITIONS | SOLVAY SA (BE) | 2020-02-05 | — | — | EP | disclosed |
| US-5183915-A | Reacting with hydrocyanide in presence of quaternary ammonium or phosphonium cyanide in absence of water | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1993-02-02 | — | — | US | disclosed |