SCHEMBL6939745

SCHEMBL6939745

CC(=O)OC(C)(OC(C)=O)OC(C)(OC(C)=O)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 2/20 0.30
LMNA P02545 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL29111570 0.82 GAA (0.42) GAAALDH1A1TSHR
SCHEMBL784657 0.79 GAA (0.44) GAAALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL838346 0.77 GAA (0.42) GAAALDH1A1TSHRLMNA
SCHEMBL28358909 0.73 GAA (0.50) GAAALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL26684 0.73
SCHEMBL9720156 0.73 GAA (0.50) GAAALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL28745990 0.73 GAA (0.50) GAAALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL2185156 0.73 GAA (0.50) GAAALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL298347 0.73
SCHEMBL11128475 0.73 GAA (0.44) GAAALDH1A1TSHRHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed