SCHEMBL2869403

SCHEMBL2869403

C=CCOC(=O)C(CC(=O)OCC)S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ALDH1A1 P00352 5/20 0.32
TRPA1 O75762 1/20 0.32
CYP3A4 P08684 3/20 0.32
ALOX15 P16050 2/20 0.32
CHRM1 P11229 1/20 0.31
ADORA1 P30542 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8950000 0.94 RECQL (0.43) RECQLTSHRSMN1; SMN2TDP1MGAM
SCHEMBL4962702 0.92 RECQL (0.44) RECQLTSHRSMN1; SMN2TDP1MGAM
SCHEMBL568267 0.90 RECQL (0.41) RECQLTSHRSMN1; SMN2TDP1GAA
SCHEMBL4244326 0.90 RECQL (0.41) RECQLTSHRSMN1; SMN2TDP1GAA
SCHEMBL87406 0.89 RECQL (0.42) RECQLTSHRSMN1; SMN2TDP1GAA
Ammonia Solution, Strong SCHEMBL10978983 0.87 RECQL (0.41) RECQLTSHRSMN1; SMN2TDP1GAA
SCHEMBL8949994 0.87 RECQL (0.38) RECQLTSHRSMN1; SMN2TDP1
SCHEMBL15523337 0.86 RECQL (0.46) RECQLTSHRSMN1; SMN2TDP1
SCHEMBL4962696 0.85 RECQL (0.39) RECQLTSHRSMN1; SMN2TDP1
SCHEMBL662228 0.85 RECQL (0.51) RECQLTSHRTDP1MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021162085-A1 WATER-ABSORBING RESIN AND MANUFACTURING METHOD FOR SAME 株式会社日本触媒 2021-08-19 WO disclosed
US-20100034871-A1 Center-Filled Chewing Gum Product For Dental Care GUMLINK A/S (DK) 2010-02-11 US disclosed
EP-2136648-A1 CENTER-FILLED CHEWING GUM PRODUCT FOR DENTAL CARE Gumlink A/S (DK) 2009-12-30 EP disclosed
WO-2008122286-A1 CENTER-FILLED CHEWING GUM PRODUCT FOR DENTAL CARE GUMLINK A/S (DK) 2008-10-16 WO disclosed
US-20070187429-A1 Dual opening tubular dispenser FARAHMAND BARDIA 2007-08-16 US disclosed
WO-2000069401-A1 METHOD FOR THE MANUFACTURE OF TOOTHPASTE COLGATE-PALMOLIVE COMPANY (US) 2000-11-23 WO disclosed
US-6149894-A MIXING TOGETHER A HIGH SOLIDS CALCIUM CARBONATE ABRASIVE DISPERSION AND AN AQUEOUS HUMECTANT PRIOR TO ADDING A THICKENER COLGATE PALMOLIVE COMPANY (US) 2000-11-21 US disclosed
US-5882631-A Oral composition SUNSTAR INC. (JP) 1999-03-16 US disclosed