Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17187693

CC[n+]1c2ccccc2nc2c(NS(C)(=O)=O)cccc21.O=C([O-])C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
GLO1 Q04760 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
NLRP3 Q96P20 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KEAP1 Q14145 1/20 0.36
NR3C1 P04150 1/20 0.34
TP53 P04637 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL17199220 0.89 GLO1 (0.47) MMP2GLO1ALOX15HTTKMT2A
Trifluoroacetic Acid SCHEMBL17187694 0.85 MEN1 (0.38) ALOX15HTTKMT2AMEN1NPC1
Trifluoroacetic Acid SCHEMBL17187687 0.81 POLB (0.45) HTTKMT2AMEN1NPC1USP2
Trifluoroacetic Acid SCHEMBL22203993 0.79 HTT (0.38) HTTKMT2AMEN1NPC1USP2
SCHEMBL12377714 0.74 MEN1 (0.43) ALOX15HTTKMT2AMEN1NPC1
Trifluoroacetic Acid SCHEMBL11902973 0.72 LTB4R (0.37) KMT2AMEN1NPC1USP2POLB
Trifluoromethanesulfonic Acid SCHEMBL15268656 0.71 MEN1 (0.51) KMT2AMEN1NPC1USP2POLB
SCHEMBL17199107 0.71 HDAC3 (0.48) HTTKMT2AMEN1NPC1RAB9A
SCHEMBL17199293 0.70 CYP1A2 (0.54) POLBALDH1A1
SCHEMBL17187688 0.70 POLB (0.52) HTTPOLBL3MBTL1KDM4ESMN1; SMN2

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-3131882-A1 PHENAZINIUM MEDIATORS Roche Diagnostics GmbH (DE) 2017-02-22 EP disclosed
WO-2015158645-A1 PHENAZINIUM MEDIATORS ROCHE DIAGNOSTICS GMBH (DE) 2015-10-22 WO disclosed