SCHEMBL9856237

SCHEMBL9856237

C=CC(F)(F)OC(=O)/C=C\C(=O)OC(F)(F)C=C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL7595856 1.00 KEAP1 (0.32) KEAP1NFE2L2HCAR2ALDH1A1TP53
SCHEMBL9856244 0.91 HCAR2 (0.41) HCAR2ALDH1A1TP53
SCHEMBL7595859 0.91 HCAR2 (0.41) HCAR2ALDH1A1TP53
SCHEMBL7719304 0.79
SCHEMBL9000767 0.75
SCHEMBL3400712 0.73 HCAR2 (0.38) KEAP1NFE2L2HCAR2
SCHEMBL3400715 0.73 HCAR2 (0.38) KEAP1NFE2L2HCAR2
SCHEMBL5070247 0.73 HCAR2 (0.38) KEAP1NFE2L2HCAR2
SCHEMBL7885338 0.72 KEAP1 (0.33) KEAP1NFE2L2HCAR2ALDH1A1TP53
SCHEMBL9620593 0.72 KEAP1 (0.33) KEAP1NFE2L2HCAR2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102295560-A Difluoroalkyl maleate and preparation method thereof 2011-12-28 CN disclosed
EP-0284331-B1 PHOTOGRAPHIC COMPOSITION CONTAINING A FLOURINATED SULFOSUCCINATE EASTMAN KODAK COMPANY (US) 1991-10-30 EP disclosed
US-4968599-A COATING AIDS TO CONTROL REPELLENCIES EASTMAN KODAK COMPANY (US) 1990-11-06 US disclosed
EP-0284331-A1 Photographic composition containing a flourinated sulfosuccinate EASTMAN KODAK COMPANY (US) 1988-09-28 EP disclosed