Iodide

Iodide

SCHEMBL5138232

[I-].c1ccc([As+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

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.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.33
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 5/20 0.35
CA2 P00918 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CA12 O43570 2/20 0.35
LMNA P02545 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GMNN O75496 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 1/20 0.35
POLB P06746 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL29526094 0.96 ALDH1A1 (0.40) ALDH1A1TDP1CA2HSD17B10CA12
Water SCHEMBL6847549 0.92 ALDH1A1 (0.38) ALDH1A1TDP1CA2HSD17B10CA12
Fluoride Ion SCHEMBL2463417 0.92 ALDH1A1 (0.39) ALDH1A1TDP1CA2HSD17B10CA12
Bromide SCHEMBL2466692 0.92 ALDH1A1 (0.38) ALDH1A1TDP1CA2HSD17B10CA12
Hydrochloric Acid SCHEMBL63255 0.92 ALDH1A1 (0.38) ALDH1A1TDP1CA2HSD17B10CA12
Phosphine SCHEMBL27580026 0.89 ALDH1A1 (0.35) ALDH1A1TDP1CA2HSD17B10CA12
Arsenic SCHEMBL27727223 0.89 ALDH1A1 (0.35) ALDH1A1TDP1CA2HSD17B10CA12
Water SCHEMBL3469001 0.89 ALDH1A1 (0.35) ALDH1A1TDP1CA2HSD17B10CA12
Hydrochloric Acid SCHEMBL27867489 0.89 ALDH1A1 (0.35) ALDH1A1TDP1CA2HSD17B10CA12
Hydrochloric Acid SCHEMBL10391734 0.89 ALDH1A1 (0.35) ALDH1A1TDP1CA2HSD17B10CA12

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4931571-A REACTING WITH CARBON DIOXIDE USING QUATERNARY ARSONIUM HALIDE CATALYSTS SCIENTIFIC DESIGN COMPANY, INC. (US) 1990-06-05 US claimed
EP-0180387-B1 PROCESS FOR PREPARING ALKYLENE OXIDES FROM ALKYLENE CARBONATES AND ALKYLENE CARBONATES FROM ALKYLENE OXIDES Scientific Design Company Inc. (US) 1990-05-09 EP claimed
US-4913843-A AIR DRYABLE COATING OF THERMOPARTICULATING COMPOUND AND RESIN CARRIER IN ORGANIC SOLVENT WESTINGHOUSE ELECTRIC CORP. (US) 1990-04-03 US claimed
US-4851555-A QUATERNARY ARSONIUM HALIDE CATALYST SCIENTIFIC DESIGN COMPANY, INC. (US) 1989-07-25 US claimed
EP-0180387-A2 Process for preparing alkylene oxides from alkylene carbonates and alkylene carbonates from alkylene oxides Scientific Design Company Inc. (US) 1986-05-07 EP claimed
US-4408069-A Conversion of methanol to methyl acetate using iron-cobalt catalyst EXXON RESEARCH AND ENGINEERING CO. (US) 1983-10-04 US claimed
EP-0027000-B1 METHANOL CONVERSION WITH CO OR CO+H2 USING IRON-COBALT CATALYST EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-07-13 EP claimed
US-4320230-A TO PRODUCE ETHANOL OR ACETALDEHYDE BY REACTION WITH CARBON MONOXIDE AND HTDROGEN IN THE PRESENCE OF AN IODIDE PROMOTER EXXON RESEARCH & ENGINEERING CO. (US) 1982-03-16 US claimed
EP-0027000-A1 Methanol conversion with CO or CO+H2 using iron-cobalt catalyst EXXON RESEARCH AND ENGINEERING COMPANY (US) 1981-04-15 EP claimed
US-20080214386-A1 Stability; easily separated from solution; surface treatment of catalyst with Group seven compound; reacting epoxide with carbon dioxide NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-09-04 US disclosed
US-4931571-A REACTING WITH CARBON DIOXIDE USING QUATERNARY ARSONIUM HALIDE CATALYSTS SCIENTIFIC DESIGN COMPANY, INC. (US) 1990-06-05 US disclosed
EP-0180387-B1 PROCESS FOR PREPARING ALKYLENE OXIDES FROM ALKYLENE CARBONATES AND ALKYLENE CARBONATES FROM ALKYLENE OXIDES Scientific Design Company Inc. (US) 1990-05-09 EP disclosed
US-4913843-A AIR DRYABLE COATING OF THERMOPARTICULATING COMPOUND AND RESIN CARRIER IN ORGANIC SOLVENT WESTINGHOUSE ELECTRIC CORP. (US) 1990-04-03 US disclosed
US-4851555-A QUATERNARY ARSONIUM HALIDE CATALYST SCIENTIFIC DESIGN COMPANY, INC. (US) 1989-07-25 US disclosed
EP-0068498-B1 PROCESS FOR PRODUCING ALCOHOLS UNION CARBIDE CORPORATION (US) 1984-12-19 EP disclosed
US-4408069-A Conversion of methanol to methyl acetate using iron-cobalt catalyst EXXON RESEARCH AND ENGINEERING CO. (US) 1983-10-04 US disclosed
EP-0027000-B1 METHANOL CONVERSION WITH CO OR CO+H2 USING IRON-COBALT CATALYST EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-07-13 EP disclosed
US-4320230-A TO PRODUCE ETHANOL OR ACETALDEHYDE BY REACTION WITH CARBON MONOXIDE AND HTDROGEN IN THE PRESENCE OF AN IODIDE PROMOTER EXXON RESEARCH & ENGINEERING CO. (US) 1982-03-16 US disclosed
EP-0027000-A1 Methanol conversion with CO or CO+H2 using iron-cobalt catalyst EXXON RESEARCH AND ENGINEERING COMPANY (US) 1981-04-15 EP disclosed
US-4124630-A Process for the production of chloromethyl thiocyanate OFFERMANNS HERIBERT 1978-11-07 US disclosed