Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7449967

Nc1ccc2c(CN3CC[C@H](NC=O)C3=O)cccc2n1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.39
GPR6 P46095 2/20 0.35
CYBB P04839 1/20 0.34
NCF1 P14598 1/20 0.34
F2 P00734 6/20 0.33
C1S P09871 1/20 0.33
PRSS1 P07477 2/20 0.33
PLG P00747 1/20 0.33
PROC P04070 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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 SCHEMBL7214094 0.89 F10 (0.40) F10GPR6F2C1SPRSS1
Trifluoroacetic Acid SCHEMBL7214007 0.84 F2 (0.38) F10GPR6CYBBNCF1F2
Trifluoroacetic Acid SCHEMBL7452864 0.83 F10 (0.48) F10F2PLGPROCHDAC1
Trifluoroacetic Acid SCHEMBL7213069 0.83 F10 (0.36) F10GPR6CYBBNCF1F2
Trifluoroacetic Acid SCHEMBL7213074 0.83 GPR6 (0.35) F10GPR6CYBBNCF1F2
SCHEMBL7452877 0.82 HDAC1 (0.35) F10F2PRSS1PLGPROC
Trifluoroacetic Acid SCHEMBL7417460 0.76 F10 (0.60) F10F2PRSS1PLGPROC
Trifluoroacetic Acid SCHEMBL7450568 0.74 F10 (0.52) F10F2
Trifluoroacetic Acid SCHEMBL7452358 0.74 F10 (0.40) F10F2
Trifluoroacetic Acid SCHEMBL7457704 0.74 F10 (0.52) F10F2

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-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed
EP-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
WO-2001039759-A2 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-07 WO disclosed