SCHEMBL28867951

SCHEMBL28867951

N#CC(F)(F)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
PGR P06401 1/20 0.39
KCNN4 O15554 5/20 0.36
SLC22A12 Q96S37 4/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
ACHE P22303 1/20 0.32
CUL4A Q13619 1/20 0.32
KIF11 P52732 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KAT6A Q92794 1/20 0.31
NFE2L2 Q16236 1/20 0.31
EEF2K O00418 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
SCHEMBL27904229 0.83 HSD11B1 (0.35) ARPGRCUL4AKIF11L3MBTL1
SCHEMBL15549713 0.79 KCNN4 (0.37) ARPGRKCNN4SLC22A12KCNE1
SCHEMBL28671391 0.78 AR (0.35) ARPGRKCNN4SLC22A12CYP1A2
SCHEMBL7120630 0.77 KCNN4 (0.40) KCNN4SLC22A12KCNE1KCNQ1ACHE
SCHEMBL30966621 0.76 ACHE (0.36) ARPGRKCNN4SLC22A12CYP1A2
SCHEMBL780814 0.76 ACHE (0.36) ARPGRKCNN4SLC22A12CYP1A2
SCHEMBL7633380 0.75 AR (0.33) ARPGRKCNN4CYP1A2CYP3A4
SCHEMBL2391883 0.74 KCNN4 (0.46) ARPGRKCNN4CYP1A2CYP3A4
SCHEMBL9281500 0.73 KCNN4 (0.39) KCNN4SLC22A12KCNE1KCNQ1ACHE
SCHEMBL2974402 0.73 KCNN4 (0.39) KCNN4SLC22A12KCNE1KCNQ1ACHE

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
CN-116154298-A Wide-temperature-zone lithium ion battery electrolyte and preparation method and application thereof 重庆酷利特科技有限公司 2023-05-23 CN claimed
CN-217614767-U Trifluoro-benzene acetonitrile acid environment reaction equipment 福建润华化工有限公司 2022-10-21 CN claimed
CN-116730824-B Synthesis method of 2,4, 5-trifluoro phenylacetic acid 山东国邦药业有限公司 2023-10-17 CN disclosed
CN-116730824-A Synthesis method of 2,4, 5-trifluoro phenylacetic acid 山东国邦药业有限公司 2023-09-12 CN disclosed
CN-116154298-A Wide-temperature-zone lithium ion battery electrolyte and preparation method and application thereof 重庆酷利特科技有限公司 2023-05-23 CN disclosed
CN-217614767-U Trifluoro-benzene acetonitrile acid environment reaction equipment 福建润华化工有限公司 2022-10-21 CN disclosed