Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6993355

CC1CCc2sc(C(N)=O)nc2C1.NCc1cccc(N(CC(=O)O)C(=O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.33

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.33
OPRD1 P41143 11/20 0.33
OPRK1 P41145 1/20 0.33
TPSAB1 Q15661 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PKM P14618 1/20 0.32
ACHE P22303 1/20 0.31
LMNA P02545 1/20 0.31
F2 P00734 1/20 0.31

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 SCHEMBL5205822 0.96 F2 (0.34) OPRM1OPRD1TPSAB1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6999298 0.94 HRH2 (0.37) OPRM1OPRD1OPRK1TPSAB1HRH2
Trifluoroacetic Acid SCHEMBL6996192 0.91 HRH2 (0.34) OPRM1OPRD1OPRK1TPSAB1MEN1
Trifluoroacetic Acid SCHEMBL5207971 0.90 HRH2 (0.37) TPSAB1HRH2HRH1HRH4HRH3
Trifluoroacetic Acid SCHEMBL5206361 0.87 HRH2 (0.34) OPRM1OPRD1OPRK1TPSAB1MEN1
SCHEMBL6991435 0.83 F2 (0.35) OPRM1OPRD1OPRK1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6994655 0.83 OPRD1 (0.34) OPRM1OPRD1OPRK1TPSAB1MEN1
Trifluoroacetic Acid SCHEMBL6995379 0.79 TP53 (0.39) MEN1KMT2AF2
Trifluoroacetic Acid SCHEMBL7432339 0.79 LMNA (0.37) OPRM1OPRD1MEN1KMT2APKM
Trifluoroacetic Acid SCHEMBL5209729 0.78 F2 (0.34) OPRM1OPRD1OPRK1TPSAB1MEN1

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
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO disclosed