Iodide

Iodide

SCHEMBL2464728

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.[I-].[I-].[Ru+2]=Cc1ccccc1

nearest known ligand 0.37

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 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HSP90AA1 P07900 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
IDO1 P14902 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CHRNA7 P36544 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32

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
Bromide SCHEMBL2467102 0.96 POLB (0.37) POLBGAAHSP90AA1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL175377 0.96 POLB (0.37) POLBGAAHSP90AA1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL2064723 0.96 POLB (0.37) POLBGAAHSP90AA1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL4119676 0.94 POLB (0.38) POLBGAAHSP90AA1MAPK1SMN1; SMN2
Pyridine SCHEMBL6100271 0.89 SMN1; SMN2 (0.33) POLBGAAHSP90AA1MAPK1SMN1; SMN2
SCHEMBL3276196 0.79 GAA (0.38) POLBGAAHSP90AA1MAPK1SMN1; SMN2
SCHEMBL2868301 0.79 GAA (0.38) POLBGAAHSP90AA1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL3337845 0.78 GAA (0.37) POLBGAAHSP90AA1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL4542337 0.78 POLB (0.37) POLBGAAHSP90AA1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL4542347 0.78 GAA (0.37) POLBGAAHSP90AA1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4779121-B2 2011-09-28 JP claimed
EP-1673328-B1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF UNSATURATED ALCOHOLS DOW GLOBAL TECHNOLOGIES INC (US) 2008-07-09 EP claimed
JP-2007508300-A 2007-04-05 JP claimed
US-7176336-B2 Preparing 9-octadecene-7,12-diol by catalyzing methyl ricinoleate derived from a seed oil, in presence of a metathesis catalyst; improved yield; use in manufacture of surfactants and thermoplastic polyurethanes DOW GLOBAL TECHNOLOGIES INC. (US) 2007-02-13 US claimed
EP-1673328-A2 AN IMPROVED PROCESS FOR THE SYNTHESIS OF UNSATURATED ALCOHOLS Dow Global Technologies Inc. (US) 2006-06-28 EP claimed
WO-2005040077-A2 AN IMPROVED PROCESS FOR THE SYNTHESIS OF UNSATURATED ALCOHOLS DOW GLOBAL TECHNOLOGIES INC. (US) 2005-05-06 WO claimed
US-20050080301-A1 Process for the synthesis of unsaturated alcohols DOW GLOBAL TECHNOLOGIES LLC 2005-04-14 US claimed
EP-1673328-B1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF UNSATURATED ALCOHOLS DOW GLOBAL TECHNOLOGIES INC (US) 2008-07-09 EP disclosed
US-7176336-B2 Preparing 9-octadecene-7,12-diol by catalyzing methyl ricinoleate derived from a seed oil, in presence of a metathesis catalyst; improved yield; use in manufacture of surfactants and thermoplastic polyurethanes DOW GLOBAL TECHNOLOGIES INC. (US) 2007-02-13 US disclosed
EP-1673328-A2 AN IMPROVED PROCESS FOR THE SYNTHESIS OF UNSATURATED ALCOHOLS Dow Global Technologies Inc. (US) 2006-06-28 EP disclosed
WO-2005040077-A2 AN IMPROVED PROCESS FOR THE SYNTHESIS OF UNSATURATED ALCOHOLS DOW GLOBAL TECHNOLOGIES INC. (US) 2005-05-06 WO disclosed
US-20050080301-A1 Process for the synthesis of unsaturated alcohols DOW GLOBAL TECHNOLOGIES LLC 2005-04-14 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-20050080301-A1 Process for the synthesis of unsaturated alcohols FASN, SQLE, ALOX12 POLB 2524/4885GAA 3922/4885HSP90AA1 230/4885

“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.