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 | |
|---|---|---|---|---|
| SCHEMBL193486 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL11804003 | 0.93 | ACHE (0.57) | — | |
| Hydrogen Sulfide SCHEMBL28918942 | 0.93 | — | — | |
| Fluoride SCHEMBL29226548 | 0.93 | — | — | |
| Water SCHEMBL28462952 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL5080274 | 0.93 | — | — | |
| Lithium Ion SCHEMBL29420409 | 0.93 | — | — | |
| Bromide SCHEMBL7197581 | 0.93 | — | — | |
| SCHEMBL22472026 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL11803995 | 0.93 | ACHE (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104144937-B | Diphosphonium salt and method for producing same | 广荣化学工业株式会社 | 2017-04-26 | — | — | CN | disclosed |
| CN-104144937-A | Novel diphosphonium salt and method for producing same | KOEI CHEMICAL CO | 2014-11-12 | — | — | CN | disclosed |
| WO-2001038287-A1 | ADDUCTS OF GLYCIDYLESTERS OF α,α-BRANCHED CARBOXYLIC ACIDS AND CARBOXYLIC ACIDS AND PROCESS FOR THEIR PREPARATION | RESOLUTION RESEARCH NEDERLAND B.V. (NL) | 2001-05-31 | — | — | WO | disclosed |
| CN-1074687-A | Pre-catalysis catalyst composition prepare the method for Resins, epoxy, curable composition, the article that obtained by the curing said composition | DOW CHEMICAL CO (US) | 1993-07-28 | — | — | CN | disclosed |
| WO-1991013073-A1 | FUNGICIDAL COMPOSITIONS CONTAINING BENZYL-TRIS(ARYL)PHOSPHONIUM SALTS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1991-09-05 | — | — | WO | disclosed |
| US-4124630-A | Process for the production of chloromethyl thiocyanate | OFFERMANNS HERIBERT | 1978-11-07 | — | — | US | disclosed |
| US-4052427-A | PROCESS FOR THE PREPARATION OF DIALKYLTIN DIHALIDES | WITCO CHEMICAL CORPORATION (US) | 1977-10-04 | — | — | US | disclosed |