Iodide

Iodide

SCHEMBL4333792

CCCC[N+](CC)(CCCC)CCCC.[I-]

nearest known ligand 0.69

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 17)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.69
DNM1 Q05193 5/20 0.63
SLC22A2 O15244 1/20 0.59
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NFKB1 P19838 1/20 0.44
KCNA1 Q09470 1/20 0.44
KDM4E B2RXH2 1/20 0.41
PMP22 Q01453 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL346989 0.97 SLC22A1 (0.73) SLC22A1DNM1SLC22A2TSHRALDH1A1
Bromide SCHEMBL3680180 0.93 SLC22A1 (0.69) SLC22A1DNM1SLC22A2TSHRALDH1A1
Iodide SCHEMBL5088044 0.93 DNM1 (0.72) SLC22A1DNM1SLC22A2TSHRALDH1A1
Water SCHEMBL1332993 0.93 SLC22A1 (0.69) SLC22A1DNM1SLC22A2TSHRALDH1A1
Hydrochloric Acid SCHEMBL5084823 0.93 SLC22A1 (0.69) SLC22A1DNM1SLC22A2TSHRALDH1A1
SCHEMBL10598485 0.93 SLC22A1 (0.69) SLC22A1DNM1SLC22A2TSHRALDH1A1
Iodide SCHEMBL5086874 0.93 SLC22A1 (0.69) SLC22A1DNM1SLC22A2TSHRALDH1A1
SCHEMBL10598482 0.93 SLC22A1 (0.69) SLC22A1DNM1SLC22A2TSHRALDH1A1
Tetrabuthylammonium SCHEMBL6242211 0.90 SLC22A1 (0.75) SLC22A1DNM1SLC22A2TSHRALDH1A1
SCHEMBL11806867 0.90 DNM1 (0.78) SLC22A1DNM1SLC22A2TSHRALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629491-B2 Hydrocarboxylation process EASTMAN CHEMICAL COMPANY (US) 2009-12-08 US disclosed
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-20070299280-A1 forming propionic acid from ethylene, water and carbon monoxide; not using the hazardous and corrosive hydrogen halides or sulfonic acids; free of hydrogen iodide and/or ethyl iodide; no diethyl ketone by-products EASTMAN CHEMICAL COMPANY (US) 2007-12-27 US disclosed
US-4859389-A Process for preparing polyamide fibers having improved properties TOYO BOSEKI KABUSHIKI KAISHA (JP) 1989-08-22 US disclosed
EP-0268261-A1 Process for producing 1-hydrocarbyl mercaptans PHILLIPS PETROLEUM COMPANY (US) 1988-05-25 EP disclosed
US-4701377-A POLYCAPROLACTAM, POLYHEXAMETHYLENE ADIPAMIDE, AND/OR TETRAMETHYLENEADIPAMIDE; USED FOR RUBBER REINFORCEMENT TOYO BOSEKI KABUSHIKI KAISHA (JP) 1987-10-20 US disclosed
EP-0004606-B1 PROCESS FOR PREPARING ANILINE COMPOUNDS ETHYL CORPORATION (US) 1982-03-10 EP disclosed
US-4186147-A DISPLACEMENT OF THIOCYANOANILINE WITH AN ALCOHOL TO FORM THIOALKYL ANILINE ETHYL CORPORATION (US) 1980-01-29 US disclosed
EP-0004606-A2 Process for preparing aniline compounds ETHYL CORPORATION (US) 1979-10-17 EP disclosed
US-4022816-A TRIALKYL AMMONIUM OR PHOSPHONIUM CATALYST ETHYL CORPORATION (US) 1977-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070299280-A1 forming propionic acid from ethylene, water and carbon monoxide; not using the hazardous and corrosive hydrogen halides or sulfonic acids; free of hydrogen iodide and/or ethyl iodide; no diethyl ketone by-products ETV6, ETV1, HAO2 SLC22A1 2340/4885DNM1 985/4885SLC22A2 2106/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.