Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7670169

O=C(Nc1cccnc1)N1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
TRPV1 Q8NER1 2/20 0.57
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
GRIN2B Q13224 2/20 0.49
FAAH O00519 6/20 0.48
HTR2C P28335 4/20 0.47
HTR2A P28223 3/20 0.47
PDGFRB P09619 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45

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
SCHEMBL30791537 0.91 POLB (0.66) POLBTRPV1CYP2D6CYP1A2GRIN2B
SCHEMBL1758868 0.91 POLB (0.66) POLBTRPV1CYP2D6CYP1A2GRIN2B
Hydrochloric Acid SCHEMBL2194067 0.90 POLB (0.68) POLBTRPV1CYP2D6CYP1A2GRIN2B
Trifluoroacetic Acid SCHEMBL7659069 0.88 MKNK1 (0.46) POLBTRPV1GRIN2BFAAHHTR2C
Trifluoroacetic Acid SCHEMBL7667828 0.86 POLB (0.80) POLBCYP2D6CYP1A2FAAH
Pyridine SCHEMBL28096189 0.80 POLB (0.80) POLBCYP2D6CYP1A2FAAH
SCHEMBL3768246 0.79 TRPV1 (0.60) TRPV1CYP2D6GRIN2BFAAHHTR2C
SCHEMBL15529643 0.79 TRPV1 (0.60) TRPV1GRIN2BFAAHHTR2CHTR2A
SCHEMBL1960679 0.77 TRPV1 (0.58) POLBTRPV1GRIN2BFAAHHTR2C
SCHEMBL656655 0.77 POLB (0.97) POLBCYP2D6CYP1A2FAAHNPC1

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
US-6355641-B1 HYPOTENSIVE AGENTS AND WOUND HEALING AGENTS SYNTEX (U.S.A.) LLC 2002-03-12 US disclosed
WO-2000055143-A1 OXAZOLONE DERIVATIVES AND THEIR USE AS ALPHA-1 ADRENORECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-09-21 WO disclosed