Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7220720

CN[C@H]1CCN(Cc2ccc3ccc(N)nc3c2)C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.49
NOS1 P29475 2/20 0.47
NOS3 P29474 1/20 0.47
F2 P00734 3/20 0.37

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 SCHEMBL7452864 0.89 F10 (0.48) F10NOS1NOS3F2
Trifluoroacetic Acid SCHEMBL7214104 0.86 F10 (0.44) F10NOS1NOS3F2
Trifluoroacetic Acid SCHEMBL7214171 0.84 F10 (0.43) F10NOS1NOS3
Trifluoroacetic Acid SCHEMBL7214098 0.84 F10 (0.45) F10NOS1NOS3
Trifluoroacetic Acid SCHEMBL7214094 0.83 F10 (0.40) F10NOS1NOS3F2
Trifluoroacetic Acid SCHEMBL7457707 0.82 F10 (0.55) F10F2
Trifluoroacetic Acid SCHEMBL7219250 0.80 F10 (0.41) F10F2
SCHEMBL7454004 0.80 F10 (0.43) F10F2
SCHEMBL7214115 0.80 F10 (0.53) F10F2
Trifluoroacetic Acid SCHEMBL7383978 0.80 F10 (0.55) 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 5 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
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed
EP-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
WO-2001039759-A2 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-07 WO disclosed