SCHEMBL17593169

SCHEMBL17593169

CCCCCC1C(=O)OCOC1=O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 1/20 0.39
PRKCA P17252 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL17593102 0.98 CYP1A2 (0.49) CYP1A2EPHX1ALDH1A1PRKCA
SCHEMBL9241076 0.88 CYP1A2 (0.50) CYP1A2EPHX1ALDH1A1PRKCA
SCHEMBL29672413 0.88 CYP1A2 (0.50) CYP1A2EPHX1ALDH1A1PRKCA
SCHEMBL19064640 0.85 CYP1A2 (0.37) CYP1A2EPHX1
SCHEMBL29118987 0.84 CYP1A2 (0.47) CYP1A2EPHX1ALDH1A1PRKCA
SCHEMBL7600985 0.82 CYP1A2 (0.46) CYP1A2EPHX1ALDH1A1
SCHEMBL5909419 0.80 TP53 (0.46) CYP1A2EPHX1ALDH1A1PRKCATP53
SCHEMBL3877379 0.80 CYP1A2 (0.47) CYP1A2EPHX1ALDH1A1PRKCATP53
SCHEMBL11868157 0.79 TP53 (0.46) CYP1A2ALDH1A1TP53
SCHEMBL31134790 0.78 TP53 (0.44) CYP1A2EPHX1ALDH1A1PRKCATP53

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-107075037-B Polymer comprising one or more 1, 1-disubstituted alkene compounds and polymer compositions thereof 赛鲁斯股份有限公司 2021-02-09 CN disclosed
EP-3191546-A1 EMULSION POLYMERS INCLUDING ONE OR MORE 1,1-DISUBSTITUTED ALKENE COMPOUNDS, EMULSION METHODS, AND POLYMER COMPOSITIONS Sirrus, Inc. (US) 2017-07-19 EP disclosed
EP-3191530-A1 SOLUTION POLYMERS INCLUDING ONE OR MORE 1,1-DISUBSTITUTED ALKENE COMPOUNDS, SOLUTION POLYMERIZATION METHODS, AND POLYMER COMPOSITIONS Sirrus, Inc. (US) 2017-07-19 EP disclosed
WO-2016040014-A1 SOLUTION POLYMERS INCLUDING ONE OR MORE 1,1-DISUBSTITUTED ALKENE COMPOUNDS, SOLUTION POLYMERIZATION METHODS, AND POLYMER COMPOSITIONS SIRRUS, INC. (US) 2016-03-17 WO disclosed
WO-2016040012-A1 EMULSION POLYMERS INCLUDING ONE OR MORE 1,1-DISUBSTITUTED ALKENE COMPOUNDS, EMULSION METHODS, AND POLYMER COMPOSITIONS SIRRUS, INC. (US) 2016-03-17 WO disclosed