Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3899879

COC(=O)c1ccc(S(=O)(=O)N[C@H](COc2cccc(C(=N)N)c2)Cc2ccc(OC3CCN(C(C)=N)CC3)cc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.55
F2 P00734 6/20 0.44
PRSS1 P07477 3/20 0.44
KCNH2 Q12809 1/20 0.43
PLG P00747 3/20 0.43
PLAU P00749 2/20 0.43
ST14 Q9Y5Y6 1/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
PLAT P00750 1/20 0.43

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
SCHEMBL14132241 0.96 F10 (0.57) F10F2PRSS1KCNH2PLAU
Trifluoroacetic Acid SCHEMBL3902709 0.95 F10 (0.56) F10F2PRSS1KCNH2PLG
Trifluoroacetic Acid SCHEMBL5099107 0.94 F10 (0.53) F10F2PRSS1KCNH2PLG
Trifluoroacetic Acid SCHEMBL3896012 0.94 F10 (0.56) F10F2KCNH2PLGPLAU
SCHEMBL14132072 0.91 F10 (0.57) F10F2PRSS1KCNH2PLG
Trifluoroacetic Acid SCHEMBL3896414 0.91 F10 (0.53) F10F2PLGPLAUST14
Trifluoroacetic Acid SCHEMBL3909865 0.90 F10 (0.51) F10F2PRSS1PLGPLAU
Trifluoroacetic Acid SCHEMBL3899142 0.90 F2 (0.42) F10F2PLGPLAUST14
SCHEMBL14132324 0.90 F10 (0.55) F10F2PRSS1KCNH2PLG
Trifluoroacetic Acid SCHEMBL3902628 0.90 F10 (0.51) F10F2KCNH2PLGPLAU

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-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed