Iodide

Iodide

SCHEMBL3854066

CCCCCCCC[N+]12CCC(CC1)CC2.[I-]

nearest known ligand 0.46

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
CHRM1 known ✓ P11229 2/20 0.33
CHRM3 known ✓ P20309 2/20 0.33
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
CHRNA7 P36544 2/20 0.33
EPHX1 P07099 1/20 0.33
RGS12 O14924 1/20 0.33
HTT P42858 1/20 0.33
CHRM2 P08172 2/20 0.33
ALDH1A1 P00352 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31

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
SCHEMBL2525998 0.98 GNAI3 (0.41) GNAI3GNAO1GNAI1TSHRTHRB
SCHEMBL868069 0.98 GNAI3 (0.41) GNAI3GNAO1GNAI1TSHRTHRB
Water SCHEMBL2526562 0.96 GNAI3 (0.40) GNAI3GNAO1GNAI1TSHRTHRB
Bromide SCHEMBL2524389 0.96 GNAI3 (0.40) GNAI3GNAO1GNAI1TSHRTHRB
SCHEMBL1666073 0.86 CHRNA7 (0.36) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Acetic Acid SCHEMBL5368078 0.85 CES2 (0.36) GNAI3GNAO1GNAI1APOBEC3AAPOBEC3G
SCHEMBL7263081 0.83 CHRNA7 (0.38) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Bromide SCHEMBL7629729 0.81 CHRNA7 (0.36) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Bromide SCHEMBL22788428 0.79 TSHR (0.44) GNAI3GNAO1GNAI1TSHRTHRB
SCHEMBL18845451 0.78 TSHR (0.41) GNAI3GNAO1GNAI1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718754-B2 Methyl-iodide-free carbonylation of an alcohol to its homologous aldehyde and/or alcohol EASTMAN CHEMICAL COMPANY (US) 2017-08-01 US disclosed
US-9714206-B2 Methyl-iodide-free carbonylation of an alcohol to its homologous aldehyde and/or alcohol EASTMAN CHEMICAL COMPANY (US) 2017-07-25 US disclosed
US-20160251292-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL EASTMAN CHEMICAL COMPANY (US) 2016-09-01 US disclosed
US-20160185701-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL EASTMAN CHEMICAL COMPANY (US) 2016-06-30 US disclosed
US-20160185700-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL EASTMAN CHEMICAL COMPANY (US) 2016-06-30 US disclosed
US-9365479-B1 Methyl-iodide-free carbonylation of an alcohol to its homologous aldehyde and/or alcohol EASTMAN CHEMICAL COMPANY (US) 2016-06-14 US disclosed
US-9266807-B1 Conversion of alcohols to longer chain aldehydes or alcohols EASTMAN CHEMICAL COMPANY (US) 2016-02-23 US disclosed
US-9238606-B1 Methyl-Iodide-free carbonylation of methanol to acetaldehyde EASTMAN CHEMICAL COMPANY (US) 2016-01-19 US disclosed
EP-1501779-B1 CONTINUOUS CARBONYLATION PROCESS EASTMAN CHEM CO (US) 2009-12-23 EP disclosed
US-7629491-B2 Hydrocarboxylation process EASTMAN CHEMICAL COMPANY (US) 2009-12-08 US disclosed
US-6201138-B1 CONTACTING A GAMMA, DELTA-EPOXYALKENE OR A GAMMA, DELTA-EPOXYCYCLOALKENE IN LIQUID PHASE WITH SOLUTION OF CATALYTIC AMOUNT OF ORGANOTIN (IV) OR ORGANOANTIMONY COMPOUND IN INERT ORGANIC SOLVENT AND QUATERNARY ORGANIC ONIUM IODIDE EASTMAN CHEMICAL COMPANY 2001-03-13 US disclosed
EP-0624157-B1 CONTINUOUS PROCESS FOR THE MANUFACTURE OF 2,5-DIHYDROFURANS FROM GAMMA,DELTA-EPOXYBUTENES EASTMAN CHEM CO (US) 1997-03-05 EP disclosed
US-5591874-A ISOMERIZATION OF VINYL ETHYLENE CARBONATE COMPOUND USING CATALYST SYSTEM COMPRISING ACIDIC AND HALOGEN COMPONENTS EASTMAN CHEMICAL COMPANY (US) 1997-01-07 US disclosed
EP-0518973-B1 ISOMERIZATION OF EPOXYALKENES TO 2,5-DIHYDROFURANS AND CATALYSTS COMPOSITIONS USEFUL THEREFOR EASTMAN CHEM CO (US) 1995-01-11 EP disclosed
EP-0624157-A1 CONTINUOUS PROCESS FOR THE MANUFACTURE OF 2,5-DIHYDROFURANS FROM -g(g),-g(d)-EPOXYBUTENES. EASTMAN CHEM CO (US) 1994-11-17 EP disclosed
US-5315019-A Continuous process for the manufacture of 2,5-dihydrofurans from γ, δ-epoxybutenes EASTMAN CHEMICAL COMPANY (US) 1994-05-24 US disclosed
WO-1993010111-A1 CONTINUOUS PROCESS FOR THE MANUFACTURE OF 2,5-DIHYDROFURANS FROM η,δ-EPOXYBUTENES EASTMAN KODAK COMPANY (US) 1993-05-27 WO disclosed
EP-0518973-A1 ISOMERIZATION OF EPOXYALKENES TO 2,5-DIHYDROFURANS AND CATALYSTS COMPOSITIONS USEFUL THEREFOR. EASTMAN KODAK CO (US) 1992-12-23 EP disclosed
US-5082956-A Quaternary onium iodide catalyst EASTMAN KODAK COMPANY (US) 1992-01-21 US disclosed
WO-1991013882-A1 ISOMERIZATION OF EPOXYALKENES TO 2,5-DIHYDROFURANS AND CATALYSTS COMPOSITIONS USEFUL THEREFOR EASTMAN KODAK COMPANY (US) 1991-09-19 WO 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 (3 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-20160185701-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL ADH1C, ADH5, ADH1A CHRM1 775/4885CHRM3 1130/4885GNAI3 3449/4885
US-20160251292-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL ADH1C, ADH5, ADH1A CHRM1 999/4885CHRM3 1422/4885GNAI3 3169/4885
US-20160185700-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL ADH1C, ADH5, ADH1A CHRM1 999/4885CHRM3 1422/4885GNAI3 3169/4885

“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.