SCHEMBL6695340

SCHEMBL6695340

C=Cc1ccc(OC(CCC)OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 3/20 0.37
ALDH1A3 P47895 1/20 0.33
CYP3A4 P08684 2/20 0.31
ALOX15 P16050 2/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TRPA1 O75762 1/20 0.31
AHR P35869 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL18154475 0.91 TAS1R3 (0.44) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6695750 0.90 CHRNB2 (0.39) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL5901194 0.88 CHRNB4 (0.44) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6699138 0.85 TAS1R3 (0.40) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6695234 0.84 TAS1R3 (0.39) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6690536 0.84 CHRNB2 (0.42) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6693687 0.83 TAS1R3 (0.41) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6690988 0.83 TAS1R3 (0.38) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
Styrene SCHEMBL8521357 0.83 STAT3 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5942120 0.81 TP53 (0.39) TAS1R3TAS1R1CHRNA7ALDH1A1CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770780-B1 QUATERNIZATION OF T-BUTYL BROMOACETATE WITH TRI(N-BUTYL)PHOSPHINE TO FORM PHOSPHONIUM SALT; REACTING WITH BASE TO FORM PHOSPHORUS YLIDE; FORMING 2,4,6-TRIS(3', 5'-DI-T-BUTYL-4'-HYDROXYBENZYL)METHYL-STYRENE; HYDROLYSIS JSR CORPORATION (JP) 2004-08-03 US disclosed
EP-0959389-B1 Diazodisulfone compound and radiation-sensitive resin composition JSR CORP (JP) 2004-03-31 EP disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 EP disclosed
US-20020015906-A1 Polymer for photoresist, method of production thereof and photoresist composition containing polymer SAMSUNG ELECTRONICS CO., LTD. (KR) 2002-02-07 US disclosed
US-6143460-A PHOTOACID GENERATOR PROVIDING IMPROVED PHOTORESIST RESOLUTION JSR CORPORATION (JP) 2000-11-07 US disclosed
EP-0959389-A1 Diazodisulfone compound and radiation-sensitive resin composition JSR Corporation (JP) 1999-11-24 EP disclosed