Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1715581 | 0.80 | — | — | |
| Iodide SCHEMBL3049135 | 0.77 | — | — | |
| Iodide SCHEMBL3047544 | 0.73 | ALDH1A1 (0.36) | — | |
| Iodide SCHEMBL3049130 | 0.64 | PHGDH (0.33) | — | |
| SCHEMBL2909928 | 0.56 | — | — | |
| Bromide SCHEMBL7418495 | 0.54 | — | — | |
| SCHEMBL11220978 | 0.51 | — | — | |
| SCHEMBL4977826 | 0.51 | — | — | |
| SCHEMBL11707110 | 0.51 | ALDH1A1 (0.33) | — | |
| SCHEMBL439375 | 0.51 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1902004-B1 | ONIUM-ALKYLSULFONATE PRODUCTION METHOD | MERCK PATENT GMBH (DE) | 2012-01-18 | — | — | 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 |
| US-20100222580-A1 | Process For The Preparation Of Onium Alkylsulfates Having A Low Halide Content | MERCK PATENT GMBH (DE) | 2010-09-02 | — | — | US | disclosed |
| EP-1828142-B1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | MERCK PATENT GMBH (DE) | 2010-06-02 | — | — | EP | 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 |
| EP-1902004-A2 | ONIUM-ALKYLSULFONATE PRODUCTION METHOD | Merck Patent GmbH (DE) | 2008-03-26 | — | — | 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 |
| EP-1828142-A1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | Merck Patent GmbH (DE) | 2007-09-05 | — | — | EP | disclosed |
| WO-2007006387-A2 | ONIUM-ALKYLSULFONATE PRODUCTION METHOD | MERCK PATENT GMBH (DE) | 2007-01-18 | — | — | WO | disclosed |
| WO-2006063654-A1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | MERCK PATENT GMBH (DE) | 2006-06-22 | — | — | 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 |