Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5209869

CCSN1CCc2ccc(C(N)=O)cc21.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.34
OPRM1 P35372 8/20 0.34
OPRK1 P41145 2/20 0.34
F2 P00734 3/20 0.34
TPSAB1 Q15661 4/20 0.33
F10 P00742 1/20 0.33
KLK1 P06870 1/20 0.32
TP53 P04637 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL5245608 0.88 OPRM1 (0.36) OPRD1OPRM1OPRK1F2TPSAB1
Trifluoroacetic Acid SCHEMBL5211441 0.87 RIPK1 (0.38) OPRD1OPRM1OPRK1F2TPSAB1
Trifluoroacetic Acid SCHEMBL5210720 0.87 HSD17B3 (0.38) TPSAB1
Trifluoroacetic Acid SCHEMBL5629383 0.87 POLB (0.36) OPRD1OPRM1OPRK1F2TPSAB1
Trifluoroacetic Acid SCHEMBL5214432 0.86 ACHE (0.42) OPRD1OPRM1OPRK1
Trifluoroacetic Acid SCHEMBL5211445 0.86 POLB (0.44) OPRD1OPRM1F2TPSAB1F10
Trifluoroacetic Acid SCHEMBL5215547 0.86 RIPK1 (0.36) OPRD1OPRM1OPRK1F2TPSAB1
Trifluoroacetic Acid SCHEMBL5208180 0.85 RIPK1 (0.42) F2F10
Trifluoroacetic Acid SCHEMBL5212450 0.85 RIPK1 (0.39) OPRD1OPRM1OPRK1F2TPSAB1
Trifluoroacetic Acid SCHEMBL5629844 0.85 OPRM1 (0.34) OPRD1OPRM1OPRK1F2TPSAB1

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
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed