SCHEMBL2018311

SCHEMBL2018311

C[Si](C)(C)c1ccc(CP(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
CXCR3 P49682 2/20 0.31
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
CNR2 P34972 1/20 0.31
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL1734832 0.86 HPGD (0.35) GAACXCR3P2RX7ALDH1A1CYP17A1
SCHEMBL3676522 0.81 P2RX7 (0.33) MAPK1CXCR3P2RX7ALDH1A1HPGD
SCHEMBL2010898 0.80 MEN1 (0.31) MEN1KMT2A
SCHEMBL289717 0.78 OPRK1 (0.42) MAPK1P2RX7ALDH1A1HPGDMEN1
SCHEMBL2015150 0.77 MEN1 (0.40) CXCR3P2RX7CYP17A1CYP19A1MEN1
Bromide SCHEMBL1478373 0.76 OPRK1 (0.41) MAPK1P2RX7ALDH1A1HPGDMEN1
SCHEMBL5738047 0.76 OPRK1 (0.41) MAPK1P2RX7ALDH1A1HPGDMEN1
SCHEMBL2015230 0.76
SCHEMBL2011475 0.75 HPGD (0.39) GAAMAPK1P2RX7ALDH1A1CNR2
SCHEMBL2018312 0.74 MGAM (0.31) MGAMGAACXCR3

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 19 patents. 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-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-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
EP-2794548-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE Lucite International UK Limited (GB) 2014-10-29 EP disclosed
WO-2013093472-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2013-06-27 WO disclosed
WO-2011073653-A1 IMPROVED CARBONYLATION PROCESS LUCITE INTERNATIONAL UK LIMITED (GB) 2011-06-23 WO disclosed
WO-2011073655-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2011-06-23 WO disclosed
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 disclosed
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 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
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