⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2021731 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2175026 | 0.98 | — | — | |
| Fluoride SCHEMBL28432966 | 0.97 | — | — | |
| Bromide SCHEMBL28437156 | 0.95 | MEN1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6297789 | 0.95 | — | — | |
| Propane SCHEMBL28444402 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28909866 | 0.95 | — | — | |
| Iodide SCHEMBL379672 | 0.95 | — | — | |
| Water SCHEMBL409262 | 0.95 | — | — | |
| Fluoride Ion SCHEMBL635143 | 0.95 | — | — |
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-3322527-A1 | METHOD FOR PREPARING BIOSOURCED IONIC LIQUIDS FOR CATALYSIS | Université de Bourgogne (FR) | 2018-05-23 | — | — | EP | disclosed |
| US-20120011886-A1 | IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS | E. I. DU PONT DE NEMOURS AND COMPANY | 2012-01-19 | — | — | US | disclosed |