SCHEMBL6904760

SCHEMBL6904760

C=C(C)OC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 4/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
SRD5A2 P31213 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43

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
SCHEMBL5450979 0.91 TDP1 (0.48) TSHRALDH1A1CA1CA2SMN1; SMN2
SCHEMBL140863 0.85 TSHR (0.56) TSHRTP53ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8957224 0.85 SMN1; SMN2 (0.46) CA1CA2SMN1; SMN2HSD17B10MAPT
SCHEMBL4595754 0.84 TDP1 (0.50) TSHRTP53ALDH1A1CA1CA2
SCHEMBL11209949 0.83 TDP1 (0.57) ALDH1A1SMN1; SMN2SRD5A2MAPTKMT2A
SCHEMBL14393317 0.83 CA1 (0.57) TSHRALDH1A1CA1CA2HSD17B10
SCHEMBL8814440 0.83 CA12 (0.57) TSHRALDH1A1CA1CA2SMN1; SMN2
SCHEMBL2357050 0.83 TSHR (0.55) TSHRTP53ALDH1A1CA1CA2
SCHEMBL21628314 0.83 TSHR (0.55) TSHRTP53ALDH1A1CA1CA2
SCHEMBL15129970 0.82 TSHR (0.67) TSHRTP53ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044232-B1 RECLAIMED POLY(ETHYLENE TEREPHTHALATE) COATING SUN CHEMICAL CORP (US) 2004-08-04 EP claimed
EP-1044232-A1 RECLAIMED POLY(ETHYLENE TEREPHTHALATE) COATING SUN CHEMICAL CORPORATION (US) 2000-10-18 EP claimed
US-6127436-A REACTING POLYETHYLENE TEREPHTHALATE PARTICLES WITH GLYCOL AND POLYHYDRIC ALIPHATIC ALCOHOL IN THE PRESENCE OF ALCOHOLYSIS CATALYST TO CONVERT POLYMER INTO OLIGOMERIC POLYOL, CONTACTING OLIGOMER WITH ACID UNDER ESTERIFICATION CONDITIONS SUN CHEMICAL CORPORATION (US) 2000-10-03 US claimed
WO-2000024802-A1 RECLAIMED POLY(ETHYLENE TEREPHTHALATE) COATING SUN CHEMICAL CORPORATION (US) 2000-05-04 WO claimed
US-20160068693-A1 SUSTAINABLE RECYCLED MATERIALS FOR THREE-DIMENSIONAL PRINTING XEROX CORPORATION 2016-03-10 US disclosed
EP-1044232-B1 RECLAIMED POLY(ETHYLENE TEREPHTHALATE) COATING SUN CHEMICAL CORP (US) 2004-08-04 EP disclosed
EP-1044232-A1 RECLAIMED POLY(ETHYLENE TEREPHTHALATE) COATING SUN CHEMICAL CORPORATION (US) 2000-10-18 EP disclosed
US-6127436-A REACTING POLYETHYLENE TEREPHTHALATE PARTICLES WITH GLYCOL AND POLYHYDRIC ALIPHATIC ALCOHOL IN THE PRESENCE OF ALCOHOLYSIS CATALYST TO CONVERT POLYMER INTO OLIGOMERIC POLYOL, CONTACTING OLIGOMER WITH ACID UNDER ESTERIFICATION CONDITIONS SUN CHEMICAL CORPORATION (US) 2000-10-03 US disclosed
WO-2000024802-A1 RECLAIMED POLY(ETHYLENE TEREPHTHALATE) COATING SUN CHEMICAL CORPORATION (US) 2000-05-04 WO disclosed