SCHEMBL3683269

SCHEMBL3683269

CC(C)(C)P(Cc1ccc(-c2ccccc2)cc1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.45
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
HTT P42858 2/20 0.41
ABCC4 O15439 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
KCNH2 Q12809 1/20 0.39
FFAR1 O14842 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GRM2 Q14416 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
PYCR1 P32322 1/20 0.37
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 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
SCHEMBL706086 0.87 TAAR1 (0.44) TAAR1IDO1LMNATSHRALDH1A1
SCHEMBL1470968 0.84 ESR1 (0.33)
SCHEMBL12885589 0.83 RAB9A (0.39) TAAR1IDO1AGXTTSHRRAB9A
SCHEMBL3010209 0.80 CSNK2A1 (0.41) LMNARAB9AALDH1A1
SCHEMBL2012057 0.77 GRM2 (0.40) TAAR1ALDH1A1GRM2
SCHEMBL12885603 0.77
SCHEMBL3678193 0.76 GRM2 (0.39) HTTLMNAPTGS1RAB9AGRM2
SCHEMBL3689005 0.76 IDO1 (0.42) TAAR1IDO1AGXTTSHRRAB9A
SCHEMBL28400003 0.74 ESR1 (0.44) TAAR1
SCHEMBL31019832 0.74 HRH3 (0.44) TAAR1

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 9 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-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
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-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-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