SCHEMBL6936981

SCHEMBL6936981

CC(=O)OC(O)(O)CCO

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ALDH1A1 P00352 4/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8007570 0.78 TSHR (0.31) TSHR
SCHEMBL2157483 0.77
SCHEMBL27688964 0.76 ALDH1A1 (0.43) GAAALDH1A1LMNAHSD17B10
Ammonia Solution, Strong SCHEMBL5532864 0.75 GAA (0.44) GAAALDH1A1TSHRLMNAHSD17B10
SCHEMBL5691079 0.75 GAA (0.50) GAAALDH1A1TSHRLMNAHSD17B10
SCHEMBL10276897 0.74
SCHEMBL11561328 0.73 ALDH1A1 (0.50) GAAALDH1A1TSHRLMNAHSD17B10
SCHEMBL27181239 0.72 MAPT (0.42) GAAALDH1A1TSHRLMNA
SCHEMBL11753586 0.71 GAA (0.41) GAA
SCHEMBL13375797 0.71 GAA (0.78) GAA

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 3 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
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed