Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4734974

Cn1cc(C(=O)O)nc1Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.52
BRD4 O60885 3/20 0.40
HCAR2 Q8TDS4 1/20 0.38
CES1 P23141 1/20 0.37
BACE1 P56817 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
CPA1 P15085 1/20 0.35

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
SCHEMBL4738300 0.92 PTGER1 (0.58) PTGER1BRD4HCAR2RXFP1NR1H2
SCHEMBL4734971 0.82 PTGER1 (0.43) PTGER1CES1RXFP1NR1H2NR1H3
SCHEMBL17610980 0.78 PTGER1 (0.51) PTGER1BRD4RXFP1PTGS1PTGS2
Trifluoroacetic Acid SCHEMBL4737901 0.73 BRD4 (0.51) BRD4TSHR
SCHEMBL16519369 0.71 PTGER1 (0.42) PTGER1BRD4HCAR2RXFP1TSHR
SCHEMBL23081441 0.70 RIPK1 (0.51) PTGER1BRD4
SCHEMBL30525763 0.70 RIPK1 (0.51) PTGER1BRD4
SCHEMBL16057682 0.70 PTGER1 (0.43) PTGER1BRD4RXFP1TSHRHIF1A
SCHEMBL10883057 0.70 PTGER1 (0.41) PTGER1BRD4HCAR2RXFP1TSHR
SCHEMBL28062278 0.70 RXFP1 (0.42) BRD4RXFP1TSHR

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed