Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7378358

O=C(O)C(F)(F)F.O=C(O)CNC1(S(=O)(=O)C=Cc2ccc(Cl)s2)CCN(CCNc2ccncc2)C1=O

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL7515004 0.85 F10 (0.33) F10CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL7375960 0.77 F10 (0.44) F10
Trifluoroacetic Acid SCHEMBL7369139 0.75 F10 (0.37) F10CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL7537097 0.75 F10 (0.37) F10CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL7378726 0.71 F10 (0.37) F10CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL7542634 0.71 F10 (0.37) F10CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL7536971 0.70 F10 (0.34) F10CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL7376191 0.70 F10 (0.34) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1652937 0.69 F10 (0.58) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1652938 0.69 F10 (0.58) F10CYP3A4CYP2D6CYP2C9CYP2C19

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-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP 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