SCHEMBL2011093

SCHEMBL2011093

CC(C)(C)c1ccc(CP(C(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
KCNH2 Q12809 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.41
TYR P14679 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
APP P05067 1/20 0.39
DAO P14920 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
EPHX2 P34913 4/20 0.36
NR1H4 Q96RI1 3/20 0.36

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
SCHEMBL1470968 0.88 ESR1 (0.33)
SCHEMBL9510738 0.81 TSHR (0.46) TSHRKCNH2TP53LMNATYR
SCHEMBL3689005 0.79 IDO1 (0.42) TSHRTP53BCHEACHEDAO
SCHEMBL31019832 0.77 HRH3 (0.44) CA1CA2
SCHEMBL706086 0.76 TAAR1 (0.44) TSHRTP53LMNASIGMAR1
SCHEMBL12885589 0.74 RAB9A (0.39) TSHRACHEHDAC8HDAC6
SCHEMBL2011622 0.74 NR1H2 (0.35)
SCHEMBL1351590 0.73 TSHR (0.48) TSHRKCNH2TP53LMNATYR
SCHEMBL3006145 0.72 CYP2C19 (0.43) TSHRLMNATYRADRA2AADRA2B
SCHEMBL702989 0.72 ALDH1A1 (0.44) TSHRTP53LMNACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928061-B Continuous process for the carbonylation of ethylene 璐彩特国际英国有限公司 2020-08-28 CN claimed
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-2167232-A1 A PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM Lucite International UK Limited (GB) 2010-03-31 EP claimed
EP-2097429-A1 NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2009-09-09 EP claimed
WO-2009010782-A1 A PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2009-01-22 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-2008065448-A1 NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2008-06-05 WO 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
CN-116139939-A Catalyst system and method for carbonylation reaction 浙江新和成股份有限公司 2023-05-23 CN disclosed
CN-115819234-A Method for olefin carbonylation reaction 浙江新和成股份有限公司 2023-03-21 CN disclosed
CN-106928061-B Continuous process for the carbonylation of ethylene 璐彩特国际英国有限公司 2020-08-28 CN disclosed
CN-105153241-B Carbonylation ligands and their use in the carbonylation of ethylenically unsaturated compounds 卢西特国际英国有限公司 2020-05-15 CN disclosed
US-9382190-B2 Continuous process for the carbonylation of ethylene LUCITE INTERNATIONAL UK LIMITED (GB) 2016-07-05 US disclosed
EP-2094635-A1 CARBONYLATION OF CONJUGATED DIENES Lucite International UK Limited (GB) 2009-09-02 EP disclosed
WO-2009010782-A1 A PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2009-01-22 WO disclosed
EP-2007703-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2008-12-31 EP disclosed
WO-2008075108-A1 CARBONYLATION OF CONJUGATED DIENES LUCITE INTERNATIONAL UK LIMITED (GB) 2008-06-26 WO disclosed
WO-2008065448-A1 NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2008-06-05 WO disclosed
WO-2007119079-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-10-25 WO disclosed