SCHEMBL1554734

SCHEMBL1554734

[Li]C(C)(CC(C)CC)c1ccccc1C([Li])(C)CC(C)CC

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GRIN1 Q05586 4/20 0.30
GRIN2A Q12879 4/20 0.30
GRIN2D O15399 3/20 0.30
GRIN2C Q14957 3/20 0.30
GRIN2B Q13224 2/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL7751692 0.82 GRIN1 (0.39) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL1901712 0.79 RORC (0.35) TSHRALDH1A1TDP1SMN1; SMN2TP53
SCHEMBL2135458 0.77 ESR1 (0.32) SMN1; SMN2GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL10449747 0.76 GRIN1 (0.37) ALDH1A1HSD17B10GRIN1GRIN2AGRIN2D
SCHEMBL136467 0.72 GRIN1 (0.44) ALDH1A1CYP3A4HSD17B10GRIN1GRIN2A
SCHEMBL9821371 0.72 GRIN1 (0.40) ALDH1A1HSD17B10GRIN1GRIN2AGRIN2D
SCHEMBL9842165 0.71 GRIN1 (0.42) ALDH1A1CYP3A4HSD17B10GRIN1GRIN2A
SCHEMBL16196450 0.71 TSHR (0.43) TSHRALDH1A1TDP1SMN1; SMN2CYP3A4
SCHEMBL17274875 0.69 TSHR (0.46) TSHRALDH1A1TDP1SMN1; SMN2CYP3A4
SCHEMBL9135923 0.69 KIF11 (0.30) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B

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
US-20110118420-A1 Process for Making Dendritic Hydrocarbon Polymers EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-05-19 US claimed
WO-2011047220-A1 PROCESS FOR MAKING DENDRITIC HYDROCARBON POLYMERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-04-21 WO claimed
US-3954894-A Organotrilithium polymerization initiators LITHIUM CORPORATION OF AMERICA (US) 1976-05-04 US claimed
US-8604136-B2 Process for making dendritic hydrocarbon polymers EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-12-10 US disclosed
US-20110118420-A1 Process for Making Dendritic Hydrocarbon Polymers EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-05-19 US disclosed
WO-2011047220-A1 PROCESS FOR MAKING DENDRITIC HYDROCARBON POLYMERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-04-21 WO disclosed
US-6350723-B1 HYDROGENATED ALKYL METHACRYLATE-CONJUGATED DIENE COPOLYMERS; VISCOSITY INDEX IMPROVERS FOR LUBRICATING OILS; COMPATIBILIZERS; MOLECULAR WEIGHT CONTROL ETHYL CORPORATION 2002-02-26 US disclosed
US-4039593-A CAPPING ORGANO-DILITHIUM POLYMERS, N,N,N*,N*-TETRAMETHYLENEDIAMINE ON LITHIUM CORPORATION OF AMERICA (US) 1977-08-02 US disclosed
US-3954894-A Organotrilithium polymerization initiators LITHIUM CORPORATION OF AMERICA (US) 1976-05-04 US disclosed