SCHEMBL14633739

SCHEMBL14633739

C=C(C)C(=O)OCC(CO)(CO)COCC1CO1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
TSHR P16473 6/20 0.42
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 3/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
HIF1A Q16665 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL14816323 0.97 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1CYP3A4TP53
SCHEMBL4647897 0.93 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1CYP3A4TP53
SCHEMBL21373878 0.93 ALDH1A1 (0.66) ALDH1A1TSHRMAPK1CYP3A4TP53
SCHEMBL8432292 0.87 ALDH1A1 (0.71) ALDH1A1TSHRMAPK1CYP3A4TP53
SCHEMBL2584025 0.83 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1CYP3A4TP53
SCHEMBL59221 0.82 THRB (0.44) ALDH1A1TSHRMAPK1CYP3A4TP53
SCHEMBL10802193 0.81 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1CYP3A4TP53
SCHEMBL218038 0.80 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1CYP3A4TP53
SCHEMBL1655574 0.80 THRB (0.43) ALDH1A1TSHRMAPK1CYP3A4TP53
Methacrylic Acid SCHEMBL1837039 0.80 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090665-B2 Filler for affinity chromatography JSR CORPORATION (JP) 2015-07-28 US disclosed
EP-2562178-B1 FILLER FOR AFFINITY CHROMATOGRAPHY JSR CORP (JP) 2015-05-06 EP disclosed
EP-2562178-A1 FILLER FOR AFFINITY CHROMATOGRAPHY JSR Corporation (JP) 2013-02-27 EP disclosed
US-20130023650-A1 FILLER FOR AFFINITY CHROMATOGRAPHY JSR CORPORATION (JP) 2013-01-24 US disclosed