SCHEMBL5709865

SCHEMBL5709865

CC(O)COCCN(C(C)O)C(C)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.34
SPHK1 Q9NYA1 1/20 0.32
FYN P06241 1/20 0.30
MAOA P21397 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL8422948 0.81 HSD17B10 (0.58) HSD17B10TDP1MAPK1SPHK1FYN
SCHEMBL22184548 0.79 HSD17B10 (0.56) HSD17B10TDP1MAPK1SPHK1FYN
SCHEMBL4537695 0.79 HSD17B10 (0.56) HSD17B10TDP1MAPK1SPHK1FYN
SCHEMBL17244862 0.77 HSD17B10 (0.54) HSD17B10TDP1MAPK1SPHK1FYN
SCHEMBL2058303 0.77 TSHR (0.46) MAPK1
SCHEMBL6555797 0.77 HSD17B10 (0.74) HSD17B10TDP1MAPK1SPHK1FYN
SCHEMBL11057888 0.76 PIK3CD (0.34) HSD17B10
SCHEMBL11124129 0.76 HSD17B10 (0.58) HSD17B10TDP1MAPK1SPHK1
SCHEMBL170070 0.75 HSD17B10 (0.70) HSD17B10TDP1MAPK1SPHK1FYN
SCHEMBL5709862 0.74 HSD17B10 (0.50) HSD17B10TDP1MAPK1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395357-B1 PUMPABLE LIQUID SURFACTANT COMPOSITIONS COMPRISING ALKANOLAMINE SALTS OF ALKYL PHOSPHATE ESTERS RHODIA (US) 2006-10-04 EP claimed
US-6821944-B2 PUMPABLE, SURFACTANTS RHODIA, INC. 2004-11-23 US claimed
EP-1395357-A2 COMPOSITIONS OF ALKANOLAMINE SALTS OF ALKYL PHOSPHATE ESTERS Rhodia, Inc. (US) 2004-03-10 EP claimed
WO-2002098549-A2 COMPOSITIONS OF ALKANOLAMINE SALTS OF ALKYL PHOSPHATE ESTERS RHODIA, INC. (US) 2002-12-12 WO claimed
EP-1395357-B1 PUMPABLE LIQUID SURFACTANT COMPOSITIONS COMPRISING ALKANOLAMINE SALTS OF ALKYL PHOSPHATE ESTERS RHODIA (US) 2006-10-04 EP disclosed
EP-1395357-A2 COMPOSITIONS OF ALKANOLAMINE SALTS OF ALKYL PHOSPHATE ESTERS Rhodia, Inc. (US) 2004-03-10 EP disclosed
WO-2002098549-A2 COMPOSITIONS OF ALKANOLAMINE SALTS OF ALKYL PHOSPHATE ESTERS RHODIA, INC. (US) 2002-12-12 WO disclosed