Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6471674

NC(=S)NCCc1ccc(Cl)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.74
CNR1 P21554 3/20 0.50
TAAR1 Q96RJ0 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 4/20 0.48
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL3915490 0.86 IDO1 (1.00) IDO1CNR1TAAR1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5071495 0.79 TAAR1 (0.68) CNR1TAAR1CYP1A2CYP2D6CYP2C19
SCHEMBL1094537 0.79 CNR1 (0.57) IDO1CNR1TAAR1CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL29484053 0.77 TAAR1 (0.64) IDO1TAAR1KMT2AMEN1CYP1A2
Trifluoroacetic Acid SCHEMBL29484054 0.77 TAAR1 (0.64) IDO1TAAR1KMT2AMEN1CYP1A2
Trifluoroacetic Acid SCHEMBL5071471 0.77 LMNA (0.58) CNR1TAAR1KMT2AMEN1CYP1A2
SCHEMBL8581580 0.76 IDO1 (0.68) IDO1CNR1TAAR1KMT2ACYP1A2
Trifluoroacetic Acid SCHEMBL8128747 0.75 MCHR1 (0.46) CA1CA2PLAAT3PLAAT5PLAAT2
SCHEMBL4582082 0.74 TAAR1 (0.65) IDO1CNR1TAAR1CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL5659578 0.73 CA2 (0.50) CYP2C19CA2MAPTL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005006881-A2 SALT TASTE MODIFICATION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2005-01-27 WO disclosed