SCHEMBL28548689

SCHEMBL28548689

CCCCC(F)C(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
FAAH O00519 8/20 0.43
EPHX1 P07099 1/20 0.42
CES1 P23141 6/20 0.42
CES2 O00748 4/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3489402 0.92 MAPT (0.62) MAPTFAAHEPHX1CES1CES2
SCHEMBL29097175 0.86 MAPT (0.39) MAPTFAAHEPHX1CES1CES2
SCHEMBL10452072 0.82 MAPT (0.50) MAPTFAAHCES1CES2MEN1
SCHEMBL20680195 0.77 CA2 (0.47) MAPTFAAHEPHX1CES1CES2
SCHEMBL29009190 0.77 MAPT (0.58) MAPTCES1CES2CA2CA1
SCHEMBL13498538 0.77 FAAH (0.34) MAPTFAAHEPHX1CES1CES2
SCHEMBL23583802 0.75 CA2 (0.55) MAPTFAAHEPHX1CES1CES2
SCHEMBL8610516 0.75
SCHEMBL8326249 0.75
SCHEMBL1706462 0.75

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
CN-114555576-A Method for producing perfluoro (2, 4-dimethyl-2-fluoroformyl-1, 3-dioxolane) 公益财团法人相模中央化学研究所 2022-05-27 CN disclosed
CN-112638891-A Aldehyde adduct of hexafluoropropylene oxide, method for producing trifluoroacetylacyl fluoride dimer, and method for producing perfluoro (2, 4-dimethyl-2-fluoroformyl-1, 3-dioxolane) 东曹株式会社 2021-04-09 CN disclosed