Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4313499

COc1ccc(CCCC(N)C(N)=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LDHA P00338 1/20 0.46
PTPN1 P18031 1/20 0.44
ALOX5 P09917 1/20 0.44
CALM1 P0DP23 1/20 0.43
FFAR1 O14842 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43

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
SCHEMBL4332341 0.91 CALM1 (0.51) ALOX15LDHAALOX5CALM1PLAAT3
Trifluoroacetic Acid SCHEMBL4313504 0.85 ALOX15 (0.47) KDM4EALOX15TDP1LDHAALOX5
SCHEMBL28463183 0.82 KIF11 (0.55) LDHAALOX5CALM1PLAAT3PLAAT5
SCHEMBL1238414 0.82 KIF11 (0.55) LDHAALOX5CALM1PLAAT3PLAAT5
SCHEMBL2926805 0.82 KIF11 (0.55) LDHAALOX5CALM1PLAAT3PLAAT5
Trifluoroacetic Acid SCHEMBL7422241 0.79 AOC3 (0.44) KDM4EALOX15TDP1LDHAALOX5
SCHEMBL28463903 0.78 KIF11 (0.53) ALOX15LDHAALOX5CALM1PLAAT3
SCHEMBL28463907 0.78 KIF11 (0.53) ALOX15LDHAALOX5CALM1PLAAT3
SCHEMBL10419544 0.78 KIF11 (0.53) ALOX15LDHAALOX5CALM1PLAAT3
SCHEMBL10420495 0.77 KIF11 (0.52) ALOX15TDP1LDHAALOX5CALM1

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