⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3383300 | 0.78 | — | — | |
| SCHEMBL34293 | 0.76 | — | — | |
| Water SCHEMBL2003588 | 0.71 | — | — | |
| Fluoride Ion SCHEMBL4618004 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL965724 | 0.71 | — | — | |
| Bromide SCHEMBL636397 | 0.71 | — | — | |
| Iodide SCHEMBL394054 | 0.71 | — | — | |
| SCHEMBL385085 | 0.69 | — | — | |
| SCHEMBL11134388 | 0.68 | — | — | |
| SCHEMBL436317 | 0.66 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1979361-B1 | OXONIUM AND SULFONIUM SALTS | MERCK PATENT GMBH (DE) | 2010-11-24 | — | — | EP | disclosed |
| EP-2253638-A2 | Fluoralkylfluorophosphate salts | Merck Patent GmbH (DE) | 2010-11-24 | — | — | EP | disclosed |
| EP-1831179-B1 | METHOD FOR THE PRODUCTION OF ONIUM SALTS WITH TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2010-11-03 | — | — | EP | disclosed |
| EP-1979361-A2 | OXONIUM AND SULFONIUM SALTS | Merck Patent GmbH (DE) | 2008-10-15 | — | — | EP | disclosed |
| EP-1831179-A1 | METHOD FOR THE PRODUCTION OF ONIUM SALTS WITH TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT | Merck Patent GmbH (DE) | 2007-09-12 | — | — | EP | disclosed |
| WO-2007087949-A2 | OXONIUM AND SULFONIUM SALTS | MERCK PATENT GMBH (DE) | 2007-08-09 | — | — | WO | disclosed |
| WO-2006063653-A1 | METHOD FOR THE PRODUCTION OF ONIUM SALTS WITH TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2006-06-22 | — | — | WO | disclosed |