Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4313504

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

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LDHA P00338 1/20 0.46
ALOX5 P09917 1/20 0.44
CALM1 P0DP23 1/20 0.43
FFAR1 O14842 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
IGF1R P08069 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
SCHEMBL1586966 0.86 TAAR1 (0.56) ALOX15ALOX5CALM1TAAR1IGF1R
Trifluoroacetic Acid SCHEMBL4313499 0.85 KDM4E (0.47) ALOX15KDM4ETDP1LDHAALOX5
SCHEMBL1587009 0.82 TAAR1 (0.55) ALOX15TDP1ALOX5CALM1TAAR1
SCHEMBL4313502 0.80 POLB (0.44)
Trifluoroacetic Acid SCHEMBL6317983 0.77 LDHA (0.54) LDHATAAR1
Trifluoroacetic Acid SCHEMBL6220574 0.77 LDHA (0.54) LDHATAAR1
SCHEMBL20394552 0.77 TAAR1 (0.60) CALM1TAAR1
Trifluoroacetic Acid SCHEMBL4277214 0.77 ALOX5 (0.47) ALOX5CALM1FFAR1TAAR1
SCHEMBL28463183 0.76 KIF11 (0.55) LDHAALOX5CALM1
SCHEMBL2926805 0.76 KIF11 (0.55) LDHAALOX5CALM1

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