⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15955554 | 0.78 | — | — | |
| Chloromethane SCHEMBL23414945 | 0.76 | TSHR (0.30) | — | |
| Methyl Alcohol SCHEMBL1528050 | 0.76 | — | — | |
| Tert-Butylamine SCHEMBL16966574 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL25277060 | 0.74 | — | — | |
| SCHEMBL15956010 | 0.74 | — | — | |
| SCHEMBL534110 | 0.74 | — | — | |
| SCHEMBL25276824 | 0.74 | — | — | |
| SCHEMBL322573 | 0.74 | — | — | |
| SCHEMBL97708 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8148443-B2 | Oxonium and sulfonium salts | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-04-03 | — | — | US | disclosed |
| US-8101749-B2 | Process for the preparation of onium salts with a tetrafluoroborate anion having a reduced halide content | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-01-24 | — | — | US | disclosed |
| US-20110034698-A1 | Oxonium And Sulfonium Salts | IGNATYEV NIKOLAI MYKOLA | 2011-02-10 | — | — | US | disclosed |
| US-7842804-B2 | Ionic salts comprising pyrrolidinium, triazolinium, piperidinium or morpholinium cations and alkyltrifluorophosphate anions | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2010-11-30 | — | — | US | disclosed |
| US-20090253912-A1 | PROCESS FOR THE PREPARATION OF ONIUM SALTS WITH A TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT | MERCK PATENT GMBH (DE) | 2009-10-08 | — | — | US | disclosed |
| US-20090036628-A1 | OXONIUM AND SULFONIUM SALTS | MERCK PATENT GESELLSCHAFT (DE) | 2009-02-05 | — | — | US | disclosed |