SCHEMBL28201015

SCHEMBL28201015

CCCOC(=O)C(C)=COP(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
LPAR3 Q9UBY5 5/20 0.32
LPAR1 Q92633 3/20 0.32
LPAR2 Q9HBW0 3/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 1/20 0.31
LMNA P02545 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
SCHEMBL10719081 0.87 TSHR (0.51) HCAR2TSHRLPAR3LPAR1LPAR2
SCHEMBL1971252 0.85 GLO1 (0.42) TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL29066906 0.83 THRB (0.47) TSHRPOLBALDH1A1THRB
SCHEMBL28578410 0.82 LMNA (0.36) TSHRPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL5059056 0.78 HCAR2 (0.37) HCAR2TSHRPOLBLPAR3LPAR1
SCHEMBL27823717 0.78 LPAR3 (0.33) LPAR3LPAR1LPAR2
SCHEMBL28661305 0.77 TSHR (0.32) TSHR
SCHEMBL6138156 0.77 HCAR2 (0.39) HCAR2TSHRPOLBALDH1A1GAA
SCHEMBL11646015 0.77 HCAR2 (0.39) HCAR2TSHRPOLBALDH1A1GAA
SCHEMBL28806663 0.77 HCAR2 (0.44) HCAR2TSHRPOLBALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105713150-B A kind of preparation method and applications of the polycarboxylate water-reducer of resistance to sulfate 江苏苏博特新材料股份有限公司 2018-06-26 CN claimed
CN-107652405-A A kind of polycarboxylate water-reducer of acid amides/imide structure and preparation method thereof 江苏苏博特新材料股份有限公司 2018-02-02 CN claimed
CN-105713150-B A kind of preparation method and applications of the polycarboxylate water-reducer of resistance to sulfate 江苏苏博特新材料股份有限公司 2018-06-26 CN disclosed
CN-106008784-B A kind of concrete thinner and preparation method thereof 中建商品混凝土眉山新材料有限公司 2018-06-05 CN disclosed
CN-107652405-A A kind of polycarboxylate water-reducer of acid amides/imide structure and preparation method thereof 江苏苏博特新材料股份有限公司 2018-02-02 CN disclosed