SCHEMBL7116239

SCHEMBL7116239

C=CC(=O)OCC(O)OCC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.57
HPGD P15428 1/20 0.46
ALDH1A1 P00352 6/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 3/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCAR2 Q8TDS4 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 2/20 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
SCHEMBL11803751 0.84 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL35468 0.82 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14039328 0.82 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12629205 0.81 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2533376 0.81 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6156979 0.80 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13863181 0.79 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL554767 0.79 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28886131 0.79 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28020836 0.79 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A

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
WO-2020225822-A1 AQUEOUS POLYMER COMPOSITION ASIAN PAINTS LIMITED (IN) 2020-11-12 WO claimed
US-20030072893-A1 Polymerizable liquid crystal compound and optical film NITTO DENKO CORPORATION (JP) 2003-04-17 US disclosed
US-6472454-B1 TWO PART COMPOSITION FOR SEALING AND/OR FILLING ROOT CANALS. ONE OR MORE ELASTOMERIC (METH)ACRYLATE OLIGOMERS ARE MIXED WITH ONE OR MORE DILUENT COMONOMERS, ONE OR MORE RADIOPAQUE FILLERS AND ONE OR MORE POLYMERIZATION INITIATOR SYSTEMS AND KERR CORPORATION 2002-10-29 US disclosed
EP-1221928-A1 DENTAL COMPOSITIONS Kerr Corporation (US) 2002-07-17 EP disclosed
US-6353041-B1 PLASTICS FOR SEALING ROOTS OF TEETH KERR CORPORATION 2002-03-05 US disclosed
WO-2001030302-A1 DENTAL COMPOSITIONS KERR CORPORATION (US) 2001-05-03 WO disclosed
WO-1993021274-A1 MULTILAYER CORE-SHELL POLYMER COMPOSITIONS AS TOUGHENER FOR THERMOSETS AND THERMOPLASTICS THE B.F. GOODRICH COMPANY (US) 1993-10-28 WO disclosed