SCHEMBL5697356

SCHEMBL5697356

CCOC=C(C(=O)O)C(=O)CC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.32
FFAR3 O14843 1/20 0.32
SOAT1 P35610 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL30444526 1.00 EP300 (0.32) EP300FFAR3SOAT1HCAR2
Nitrous Acid SCHEMBL29015931 0.92
SCHEMBL11659065 0.89 SOAT1 (0.35) FFAR3SOAT1
SCHEMBL1421463 0.86 EP300 (0.37) EP300FFAR3SOAT1HCAR2
SCHEMBL11033922 0.83 EP300 (0.31) EP300
SCHEMBL10532369 0.83 CES2 (0.42) EP300FFAR3
SCHEMBL4000343 0.83 CES2 (0.42) EP300FFAR3
SCHEMBL19463260 0.82
SCHEMBL19463261 0.82
SCHEMBL20768133 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682515-A1 METHOD FOR THE PRODUCTION OF FLUOROMETHYL-SUBSTITUTED HETEROCYCLES Bayer CropScience GmbH (DE) 2006-07-26 EP disclosed
WO-2005044804-A1 METHOD FOR THE PRODUCTION OF FLUOROMETHYL-SUBSTITUTED HETEROCYCLES BAYER CROPSCIENCE GMBH (DE) 2005-05-19 WO disclosed