SCHEMBL28079002

SCHEMBL28079002

F[B-](F)(F)F.Fc1ccc(Cl)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
SCHEMBL29737981 0.93
SCHEMBL411439 0.93
SCHEMBL20969967 0.90 KEAP1 (0.34) KEAP1NFE2L2CRHBPCRHR2
SCHEMBL16992865 0.73
SCHEMBL30411719 0.73
SCHEMBL27799893 0.73 TSHR (0.40)
SCHEMBL22824181 0.72
SCHEMBL28119509 0.69 TSHR (0.48) NFE2L2
SCHEMBL22978713 0.68
SCHEMBL20969966 0.68

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-104254514-B 4 ((substituted-phenyl) difluoromethyl) phenoxy carboxylic acid derivatives and its production and use 浙江海正药业股份有限公司 2017-06-27 CN claimed
CN-105777585-A Method for synthesizing aliphatic or alicyclic diamido formate 安徽华荣高科新材料股份有限公司 2016-07-20 CN claimed
CN-105237483-B A kind of symmetric form pyrimidine radicals salt compounded of iodine and preparation method thereof 东华大学 2018-04-20 CN disclosed
CN-106795123-A Fluorocytosine and fluorocytosine derivatives 杜伦大学 2017-05-31 CN disclosed
CN-105777585-A Method for synthesizing aliphatic or alicyclic diamido formate 安徽华荣高科新材料股份有限公司 2016-07-20 CN disclosed