Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5209729

CCC1CCCc2nc(C(N)=O)sc21.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.34
OPRD1 P41143 9/20 0.33
TPSAB1 Q15661 5/20 0.33
OPRM1 P35372 7/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRK1 P41145 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 SCHEMBL6994655 0.96 OPRD1 (0.34) OPRD1TPSAB1OPRM1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5206361 0.84 HRH2 (0.34) F2OPRD1TPSAB1OPRM1MEN1
Trifluoroacetic Acid SCHEMBL5205822 0.83 F2 (0.34) F2OPRD1TPSAB1OPRM1MEN1
Trifluoroacetic Acid SCHEMBL5207971 0.83 HRH2 (0.37) F2TPSAB1
Trifluoroacetic Acid SCHEMBL5211180 0.80 NPC1 (0.39) F2
Trifluoroacetic Acid SCHEMBL6996192 0.80 HRH2 (0.34) OPRD1TPSAB1OPRM1MEN1KMT2A
SCHEMBL5210132 0.80 F2 (0.39) F2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5208806 0.79 MAPT (0.37) F2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6999298 0.78 HRH2 (0.37) OPRD1TPSAB1OPRM1OPRK1
Trifluoroacetic Acid SCHEMBL6993355 0.78 OPRM1 (0.33) F2OPRD1TPSAB1OPRM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
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