Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1188533

N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.87
PLG P00747 2/20 0.87
PROC P04070 2/20 0.87
F2 P00734 8/20 0.77
PRSS1 P07477 1/20 0.74

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 SCHEMBL2325887 0.95 F10 (0.88) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2332372 0.93 F10 (0.88) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2329357 0.92 F10 (0.88) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2363805 0.92 F10 (0.77) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2334128 0.92 F10 (0.73) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2329113 0.92 F10 (0.89) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2328672 0.92 F10 (0.89) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2328637 0.92 F10 (0.88) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2331724 0.92 F10 (0.88) F10PLGPROCF2PRSS1
Trifluoroacetic Acid SCHEMBL2326536 0.91 F10 (0.72) F10PLGPROCF2PRSS1

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-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 US disclosed