SCHEMBL28698749

SCHEMBL28698749

C=COOP(=O)(O)OCC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.38
TSHR P16473 2/20 0.37
LPAR3 Q9UBY5 4/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LPAR2 Q9HBW0 3/20 0.31
LPAR1 Q92633 2/20 0.31
NR1I2 O75469 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
SCHEMBL15209178 0.78
SCHEMBL28292316 0.76 PPARD (0.35) PPARDTSHRLPAR3TP53TDP1
Diethyl Hydrogen Phosphate SCHEMBL27909944 0.76 TDP1 (0.44) PPARDTSHRLPAR3TP53TDP1
Diethyl Hydrogen Phosphate SCHEMBL9069052 0.76 TSHR (0.42) PPARDTSHRLPAR3TP53TDP1
SCHEMBL3405866 0.75 TSHR (0.38) PPARDTSHRTP53TDP1
Diethyl Hydrogen Phosphate SCHEMBL29009468 0.74 TSHR (0.50) PPARDTSHRLPAR3TP53TDP1
Diethyl Hydrogen Phosphate SCHEMBL93056 0.74
Diethyl Hydrogen Phosphate SCHEMBL27294237 0.74 TSHR (0.56) PPARDTSHRLPAR3TP53TDP1
SCHEMBL1085395 0.73 TSHR (0.43) PPARDTSHRLPAR3TP53TDP1
SCHEMBL27845855 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026137-B Acrylic rubber having excellent water resistance 日本瑞翁株式会社 2023-12-29 CN disclosed
CN-114502362-A Contact lenses with surfaces of varying softness 爱尔康公司 2022-05-13 CN disclosed
CN-114026137-A Acrylic rubber having excellent water resistance 日本瑞翁株式会社 2022-02-08 CN disclosed