SCHEMBL2033396

SCHEMBL2033396

CCCCCCCCCCC1CCC1CP(C(C)(C)C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP1A2 P05177 3/20 0.32
CNR2 P34972 3/20 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
SCHEMBL2053356 0.93 EPHX1 (0.35) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL11662768 0.79 EPHX1 (0.52) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL11659426 0.79 EPHX1 (0.52) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL10486372 0.77 EPHX1 (0.48) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL28380195 0.71 EPHX1 (0.48) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL29559353 0.71 EPHX1 (0.48) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL28358906 0.71 EPHX1 (0.48) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL29455101 0.71 EPHX1 (0.48) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL4004983 0.71 EPHX1 (0.48) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7
SCHEMBL29904850 0.71 EPHX1 (0.48) EPHX1ALOX5ALDH1A1CHRNB2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794548-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE Lucite International UK Limited (GB) 2014-10-29 EP claimed
WO-2013093472-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2013-06-27 WO claimed
EP-2007703-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2008-12-31 EP claimed
WO-2007119079-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-10-25 WO claimed
EP-2513031-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE Lucite International UK Limited (GB) 2012-10-24 EP disclosed
EP-2512670-A1 IMPROVED CARBONYLATION PROCESS Lucite International UK Limited (GB) 2012-10-24 EP disclosed
WO-2011073655-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2011-06-23 WO disclosed
WO-2011073653-A1 IMPROVED CARBONYLATION PROCESS LUCITE INTERNATIONAL UK LIMITED (GB) 2011-06-23 WO disclosed