Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6994655

CCC1CCCc2nc(C(N)=O)sc21.NCc1cccc(N(CC(=O)O)C(=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
OPRD1 P41143 13/20 0.34
OPRM1 P35372 11/20 0.34
OPRK1 P41145 1/20 0.34
TPSAB1 Q15661 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 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 SCHEMBL5209729 0.96 F2 (0.34) OPRD1OPRM1OPRK1TPSAB1MEN1
Trifluoroacetic Acid SCHEMBL6996192 0.84 HRH2 (0.34) OPRD1OPRM1OPRK1TPSAB1MEN1
Trifluoroacetic Acid SCHEMBL6999298 0.83 HRH2 (0.37) OPRD1OPRM1OPRK1TPSAB1
Trifluoroacetic Acid SCHEMBL6993355 0.83 OPRM1 (0.33) OPRD1OPRM1OPRK1TPSAB1MEN1
Trifluoroacetic Acid SCHEMBL5206361 0.80 HRH2 (0.34) OPRD1OPRM1OPRK1TPSAB1MEN1
SCHEMBL6991435 0.80 F2 (0.35) OPRD1OPRM1OPRK1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7432339 0.79 LMNA (0.37) OPRD1OPRM1MEN1KMT2APKM
Trifluoroacetic Acid SCHEMBL5205822 0.78 F2 (0.34) OPRD1OPRM1TPSAB1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5207971 0.78 HRH2 (0.37) TPSAB1
Trifluoroacetic Acid SCHEMBL6995379 0.77 TP53 (0.39) MEN1KMT2A

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