SCHEMBL727405

SCHEMBL727405

COC(C)COC(C)COC(C)=O.COCC(C)OCC(C)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.32
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL145637 0.94 TDP1 (0.38) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL10277718 0.94 TDP1 (0.38) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL487683 0.94 TDP1 (0.38) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL9668977 0.93 TDP1 (0.39) TDP1TSHRCHRM1CHRM2CHRM4
Methyl Alcohol SCHEMBL727404 0.92 TDP1 (0.41) TDP1CHRM5CHRM1CHRM3PGR
SCHEMBL29238359 0.91 TDP1 (0.40) TDP1TSHRCHRM5CHRM1CHRM3
Dimethoxymethane SCHEMBL17442499 0.91 TDP1 (0.34) TDP1TSHRALDH1A1LMNAHSD17B10
Propylene Glycol Diacetate SCHEMBL22468984 0.91 TDP1 (0.37) TDP1TSHRALDH1A1ALOX15CHRM5
SCHEMBL30074158 0.88
SCHEMBL9444686 0.87 TDP1 (0.34) TDP1TSHRALDH1A1LMNAHSD17B10

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
JP-4769408-B2 2011-09-07 JP claimed
US-6765083-B2 TREATING THE CURED POLYMER WITH AN EXTRACTING SOLVENT HAVING SPECIFIED SWELLING OF THE CURED POLYMER, AND HANSEN SOLUBILITY PARAMETERS; SILICONE HYDROGELS FOR CONTACT LENSES JOHNSON & JOHNSON VISION CARE, INC. 2004-07-20 US claimed
JP-2004512939-A 2004-04-30 JP claimed
EP-1358256-A2 SOLVENTS USEFUL IN THE PREPARATION OF POLYMERS CONTAINING HYDROPHILIC AND HYDROPHOBIC MONOMERS Johson & Johnson Vision Care Inc. (US) 2003-11-05 EP claimed
US-20020193559-A1 Solvents useful in the preparation of polymers containing hydrophilic and hydrophobic monomers JOHNSON & JOHNSON VISION CARE, INC. 2002-12-19 US claimed
WO-2002036669-A2 SOLVENTS USEFUL IN THE PREPARATION OF POLYMERS CONTAINING HYDROPHILIC AND HYDROPHOBIC MONOMERS JOHNSON & JOHNSON VISION CARE, INC. (US) 2002-05-10 WO claimed