Iodide

Iodide

SCHEMBL17431663

CCCC[P+](C)(CCCC)CCCC.CCCC[P+](C)(CCCC)CCCC.[Co+2].[I-].[I-].[I-].[I-]

nearest known ligand 0.43

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 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.43
OPRM1 P35372 1/20 0.41
TSHR P16473 5/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
FDPS P14324 1/20 0.36
THRB P10828 1/20 0.35
CA2 P00918 2/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.33

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
Iodide SCHEMBL553389 0.97 DNM1 (0.45) DNM1OPRM1TSHRALDH1A1TDP1
Phosphine SCHEMBL27384096 0.93 DNM1 (0.43) DNM1OPRM1TSHRALDH1A1TDP1
SCHEMBL29531465 0.93 DNM1 (0.47) DNM1OPRM1TSHRALDH1A1TDP1
Iodide SCHEMBL27474337 0.90 DNM1 (0.41) DNM1OPRM1TSHRALDH1A1TDP1
Iodide SCHEMBL27547544 0.90 DNM1 (0.41) DNM1OPRM1TSHRALDH1A1TDP1
Hydrogen Sulfide SCHEMBL16734975 0.90 DNM1 (0.45) DNM1OPRM1TSHRALDH1A1TDP1
Water SCHEMBL553358 0.90 DNM1 (0.45) DNM1OPRM1TSHRALDH1A1TDP1
Bromide SCHEMBL1003648 0.90 DNM1 (0.50) DNM1OPRM1TSHRALDH1A1TDP1
Fluoride Ion SCHEMBL15738678 0.90 DNM1 (0.45) DNM1OPRM1TSHRALDH1A1TDP1
Hydrochloric Acid SCHEMBL227335 0.90 DNM1 (0.45) DNM1OPRM1TSHRALDH1A1TDP1

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 14 patents. 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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

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 DNM1 3478/4885OPRM1 187/4885TSHR 1031/4885
US-20160251292-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL ADH1C, ADH5, ADH1A DNM1 3463/4885OPRM1 175/4885TSHR 1519/4885
US-20160185700-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL ADH1C, ADH5, ADH1A DNM1 3463/4885OPRM1 175/4885TSHR 1519/4885

“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.