SCHEMBL7703170

SCHEMBL7703170

C=CCC(C(N)=O)C(CF)(CF)CF

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32

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
SCHEMBL7166143 0.82 GRIK1 (0.37) GRIK1GRIK2
SCHEMBL6455497 0.79 GRIK1 (0.34) GRIK1GRIK2
SCHEMBL7590952 0.69 HTT (0.35) GRIK1GRIK2
SCHEMBL11763944 0.69
SCHEMBL6473096 0.67 CPT2 (0.43) GRIK1GRIK2
SCHEMBL6131545 0.66 GRIK1 (0.40) GRIK1GRIK2
SCHEMBL174976 0.66 GRIK1 (0.50) GRIK1GRIK2
SCHEMBL7649445 0.66 HTT (0.33)
SCHEMBL7856861 0.66 GRIK1 (0.32) GRIK1GRIK2
SCHEMBL8251491 0.64

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
US-20020039769-A1 Process for preparing optically active 3,3,3- trifluoromethyl-2-alkylpropionic acid derivatives LONZA AG 2002-04-04 US claimed
US-20020039769-A1 Process for preparing optically active 3,3,3- trifluoromethyl-2-alkylpropionic acid derivatives LONZA AG 2002-04-04 US disclosed