SCHEMBL6202232

SCHEMBL6202232

C=CCC(C(=O)O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
CYP2C19 P33261 1/20 0.38
CPA1 P15085 1/20 0.38
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7856861 0.84 GRIK1 (0.32) GRIK1GRIK2CYP2C19CPA1
SCHEMBL6455497 0.80 GRIK1 (0.34) GRIK1GRIK2
SCHEMBL3453903 0.80 ALDH1A1 (0.31) GRIK1GRIK2
SCHEMBL5936799 0.79 GRIK1 (0.35) GRIK1GRIK2CYP2C19CPA1
SCHEMBL7166143 0.78 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1
SCHEMBL29028868 0.78 ABCC4 (0.33) ABCC4MAPT
SCHEMBL16908675 0.77 CYP2C19 (0.42) GRIK1GRIK2CYP2C19CPA1ABCC4
SCHEMBL16908693 0.77 CYP2C19 (0.42) GRIK1GRIK2CYP2C19CPA1ABCC4
SCHEMBL17757012 0.77 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1ABCC4
SCHEMBL9785440 0.77 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501877-A1 FLUORINATED POLYMERS Honeywell International Inc. (US) 2005-02-02 EP claimed
EP-1155138-B1 METHOD FOR PREPARING OPTICALLY ACTIVE 3,3,3-TRIFLUOROMETHYL-2-ALKYL PROPIONIC ACID DERIVATIVES LONZA AG (CH) 2005-01-05 EP claimed
WO-2003095505-A1 FLUORINATED POLYMERS HONEYWELL INTERNATIONAL INC. (US) 2003-11-20 WO claimed
US-6599721-B2 Chemical intermediates; hydrolysis using hydrolases LONZA AG (CH) 2003-07-29 US claimed
CN-116171154-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-05-26 CN disclosed
US-6599721-B2 Chemical intermediates; hydrolysis using hydrolases LONZA AG (CH) 2003-07-29 US disclosed