Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7376993

NC(=O)C1CCN(CCNc2ccncc2)C1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.36
DPP4 P27487 3/20 0.35
DPP7 Q9UHL4 3/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
APAF1 O14727 1/20 0.35
MITF O75030 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
GRIN2B Q13224 1/20 0.34
F2 P00734 2/20 0.34
F10 P00742 1/20 0.34
HRH4 Q9H3N8 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
PRSS1 P07477 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 SCHEMBL7370016 1.00 GPR6 (0.36) GPR6DPP4DPP7DPP8DPP9
Trifluoroacetic Acid SCHEMBL7921642 1.00 GPR6 (0.36) GPR6DPP4DPP7DPP8DPP9
SCHEMBL7378733 0.93 CYP2D6 (0.35) L3MBTL1CYP2D6CYP2C9GRIN2BF2
SCHEMBL7540081 0.93 CYP2D6 (0.35) L3MBTL1CYP2D6CYP2C9GRIN2BF2
Trifluoroacetic Acid SCHEMBL7921647 0.87 DPP4 (0.38) GPR6DPP4DPP7DPP8DPP9
Trifluoroacetic Acid SCHEMBL7370017 0.87 DPP4 (0.38) GPR6DPP4DPP7DPP8DPP9
Trifluoroacetic Acid SCHEMBL7377780 0.82 GPR6 (0.38) GPR6L3MBTL1CYP2C9
Trifluoroacetic Acid SCHEMBL7915271 0.80 HRH4 (0.33) L3MBTL1APAF1MITFCASP7CASP9
Trifluoroacetic Acid SCHEMBL7915447 0.80 HRH4 (0.33) L3MBTL1APAF1MITFCASP7CASP9
Trifluoroacetic Acid SCHEMBL7378333 0.78 GPR6 (0.38) GPR6L3MBTL1APAF1MITFCASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP claimed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US claimed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP claimed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO claimed
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO disclosed