Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4334895

N=C(N)N[C@@H](CC1CCCCC1)C(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
HPGDS O60760 1/20 0.41
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
CNR2 P34972 2/20 0.39
F2 P00734 1/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
CPB2 Q96IY4 5/20 0.36
CTSL P07711 2/20 0.35
LTA4H P09960 1/20 0.35
CNR1 P21554 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CTSB P07858 1/20 0.34

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
SCHEMBL4331063 0.90 HPGDS (0.46) MMP1MMP2MMP3HPGDSCTSS
SCHEMBL30471296 0.78 CNR2 (0.40) MMP1MMP2MMP3HPGDSCTSS
SCHEMBL21101775 0.78 MMP1 (0.44) MMP1MMP2MMP3HPGDSCTSS
SCHEMBL13735669 0.77 MMP1 (0.47) MMP1MMP2MMP3HPGDSCTSS
Trifluoroacetic Acid SCHEMBL4334971 0.74 PADI4 (0.37) CTSSCTSKF2
SCHEMBL9106410 0.73 CTSK (0.65) MMP1MMP2MMP3CTSSCTSK
SCHEMBL5025954 0.73 CTSK (0.65) MMP1MMP2MMP3CTSSCTSK
SCHEMBL6799683 0.73 CTSK (0.65) MMP1MMP2MMP3CTSSCTSK
SCHEMBL4334897 0.73 HDAC6 (0.34) CTSSCTSKF2CPB2
Trifluoroacetic Acid SCHEMBL4334998 0.72 CA12 (0.40) CTSSCTSKCNR2F2CNR1

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