SCHEMBL5734637

SCHEMBL5734637

CC(C)(C)C12CC3CC(CC(P(Cc4ccccc4)C45CC6CC(C4)CC(C(C)(C)C)(C6)C5)(C3)C1)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
OPRK1 P41145 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.31
CNR2 P34972 1/20 0.31
KMT2A Q03164 2/20 0.31
EPHX2 P34913 2/20 0.31
MAPK1 P28482 1/20 0.31
P2RX7 Q99572 1/20 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
SCHEMBL1735134 0.93
SCHEMBL14340464 0.87 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL289717 0.78 OPRK1 (0.42) HSD11B1CHRM2CHRM4CHRM5OPRK1
SCHEMBL1423465 0.77
Bromide SCHEMBL1478373 0.77 OPRK1 (0.41) HSD11B1CHRM2CHRM4CHRM5OPRK1
SCHEMBL5738047 0.77 OPRK1 (0.41) HSD11B1CHRM2CHRM4CHRM5OPRK1
SCHEMBL2145733 0.75
SCHEMBL6465665 0.75 EPHX2 (0.33) HSD11B1OPRK1ALDH1A1TSHRHPGD
SCHEMBL16525262 0.75
SCHEMBL2015640 0.74 ALDH1A1 (0.39) OPRK1ALDH1A1TSHRHPGDKMT2A

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 7 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
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-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
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
EP-1713582-A1 A CATALYST SYSTEM Lucite International UK Limited (GB) 2006-10-25 EP disclosed
WO-2005079981-A1 A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2005-09-01 WO disclosed