Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4320176

NC(=O)[C@@H](N)CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.53
CHRM4 P08173 1/20 0.48
KCNH2 Q12809 2/20 0.47
EPOR P19235 6/20 0.47
REN P00797 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL4320367 0.94 LTA4H (0.59) LTA4HCHRM4KCNH2EPORHDAC1
Trifluoroacetic Acid SCHEMBL4320181 0.88 CHRM4 (0.48) LTA4HCHRM4KCNH2EPORREN
Trifluoroacetic Acid SCHEMBL4327980 0.86 PPARG (0.45) CHRM4KCNH2EPOR
SCHEMBL4327813 0.84 LTA4H (0.60) LTA4HEPOR
SCHEMBL4320178 0.83 CHRM4 (0.47) LTA4HCHRM4KCNH2EPORREN
Hydrochloric Acid SCHEMBL4279926 0.83 LTA4H (0.59) LTA4HEPOR
SCHEMBL4320373 0.81 EPOR (0.52) LTA4HCHRM4KCNH2EPORHDAC1
Trifluoroacetic Acid SCHEMBL30685089 0.80 DPP8 (0.61)
SCHEMBL4325933 0.79 EPOR (0.48) CHRM4KCNH2EPORHDAC1HDAC7
SCHEMBL4327986 0.79 KCNH2 (0.45) CHRM4KCNH2EPORHDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664228-B2 3,5-diamino-6-chloro-pyrazine-2-carboxylic acid derivatives and their use as epithelial sodium channel blockers for the treatment of airway diseases NOVARTIS AG (CH) 2014-03-04 US disclosed
EP-2285785-B1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2012-09-05 EP disclosed
WO-2009138378-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2009-11-19 WO disclosed