Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6436696

CN(C)c1ccc(C(N)=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
RAB9A P51151 4/20 0.50
NPC1 O15118 4/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 2/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
POLB P06746 3/20 0.46
KDM1A O60341 1/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL632045 0.87 ALDH1A1 (0.67) MAPTALDH1A1HPGDRAB9ANPC1
Terephthalamide SCHEMBL30182529 0.84 PARP1 (0.56) MAPTALDH1A1HSD17B10KMT2APOLB
SCHEMBL5949981 0.77 MAPT (0.59) MAPTALDH1A1HPGDRAB9ANPC1
Trifluoroacetic Acid SCHEMBL27505171 0.77 HDAC4 (0.51) MAPTALDH1A1HPGDKMT2AMEN1
Benzamide SCHEMBL9005948 0.77 PARP1 (0.73) MAPTALDH1A1HSD17B10POLBL3MBTL1
Benzamide SCHEMBL29494570 0.77 PARP1 (0.73) MAPTALDH1A1HSD17B10POLBL3MBTL1
Benzamide SCHEMBL1786300 0.77 PARP1 (0.73) MAPTALDH1A1HSD17B10POLBL3MBTL1
SCHEMBL6712807 0.76 NPC1 (0.71) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL6712805 0.76 NPC1 (0.71) MAPTALDH1A1HPGDRAB9ANPC1
Trifluoroacetic Acid SCHEMBL8845055 0.76 TPMT (0.50) MAPTALDH1A1HSD17B10KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042287-B1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed