SCHEMBL4624439

SCHEMBL4624439

CC(O)COCC(C)OP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
SMPD1 P17405 3/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
MAPK1 P28482 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
MAPT P10636 1/20 0.32
MPI P34949 1/20 0.31
PGD P52209 1/20 0.31
PTPN1 P18031 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
Phosphoric Acid SCHEMBL4624441 0.82 HSD17B10 (0.50) HSD17B10TDP1PGK1PGK2MAPK1
SCHEMBL21291938 0.81 SMPD1 (0.38) TDP1SMPD1LPAR5PTPN1
SCHEMBL26188134 0.78 TSHR (0.35) HSD17B10TDP1SMPD1MAPK1LPAR5
SCHEMBL29143313 0.78 TDP1 (0.50) HSD17B10TDP1SMPD1LPAR5PTPN1
SCHEMBL18372917 0.78 LPAR5 (0.34) HSD17B10TDP1SMPD1LPAR5
SCHEMBL18372916 0.76 LPAR5 (0.37) HSD17B10TDP1SMPD1LPAR5
SCHEMBL19449080 0.76 SMPD1 (0.32) TDP1SMPD1
SCHEMBL13636101 0.76 SMPD1 (0.36) SMPD1PGK1PGK2LPAR5
SCHEMBL1574058 0.76 PGK1 (0.45) PGK1PGK2LPAR5MPIPGD
SCHEMBL8407485 0.76 SMPD1 (0.36) SMPD1PGK1PGK2LPAR5

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-1100419-B1 GELLING COLD PACK TEMPRA TECH INC (US) 2008-05-28 EP disclosed
EP-1100419-A4 GELLING COLD PACK TEMPRA TECH INC (US) 2005-08-24 EP disclosed
EP-1100419-A1 GELLING COLD PACK Tempra Technology, Inc. (US) 2001-05-23 EP disclosed
US-6099555-A Gelling cold pack TEMPRA TECHNOLOGY, INC. (US) 2000-08-08 US disclosed
WO-2000006063-A9 GELLING COLD PACK TEMPRA TECH INC (US) 2000-07-27 WO disclosed
US-6042732-A Starch/cationic polymer combinations as coagulants for the mining industry NALCO CHEMICAL COMPANY 2000-03-28 US disclosed
WO-2000006063-A1 GELLING COLD PACK TEMPRA TECHNOLOGY, INC. (US) 2000-02-10 WO disclosed