Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3937089

O=C(O)C(F)(F)F.c1ccc2c(c1)ncc1cc[nH]c12

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GPR3 P46089 1/20 0.40
ELANE P08246 3/20 0.39
TLR7 Q9NYK1 1/20 0.39
DYRK1A Q13627 4/20 0.39
DYRK1B Q9Y463 3/20 0.39
CLK1 P49759 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CLK2 P49760 1/20 0.39
GSK3B P49841 1/20 0.39
HTR6 P50406 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.36
CDK9 P50750 2/20 0.36
DYRK2 Q92630 2/20 0.36
CDK5 Q00535 1/20 0.36
DUSP10 Q9Y6W6 1/20 0.36

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
Acetic Acid SCHEMBL18155003 0.87 KDM4E (0.43) KDM4EGPR3ELANEDYRK1ADYRK1B
SCHEMBL455351 0.85 KDM4E (0.53) KDM4EGPR3HTR6ALOX15
SCHEMBL27673186 0.83 KDM4E (0.52) KDM4EGPR3HTR6ALOX15
Iodide SCHEMBL4717590 0.83 KDM4E (0.52) KDM4EGPR3HTR6ALOX15
Hydrochloric Acid SCHEMBL3881151 0.83 KDM4E (0.52) KDM4EGPR3HTR6ALOX15
Formic Acid SCHEMBL3882912 0.82 KDM4E (0.44) KDM4EGPR3HTR6ALOX15
Hydrochloric Acid SCHEMBL27669383 0.82 KDM4E (0.50) KDM4EGPR3HTR6ALOX15
Hydrochloric Acid SCHEMBL28761791 0.82 KDM4E (0.50) KDM4EGPR3HTR6ALOX15
Trifluoroacetic Acid SCHEMBL4761165 0.80 L3MBTL1 (0.50) KDM4ETLR7ALDH1A1HPGDHSD17B10
SCHEMBL574757 0.80 KDM4E (0.42) KDM4EGPR3HTR6

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
EP-2086542-A1 TOPICAL FORMULATIONS Helperby Therapeutics Limited (GB) 2009-08-12 EP disclosed
WO-2008056151-A1 TOPICAL FORMULATIONS HELPERBY THERAPEUTICS LIMITED (GB) 2008-05-15 WO disclosed