Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3903203

CC(=N)N1CCC(Oc2ccc(C[C@@H](COc3cccc(C(=N)N)c3)NS(=O)(=O)c3ccccc3C(=O)O)cc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.53
▸ F2 P00734 5/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ PLG P00747 1/20 0.41
▸ PLAT P00750 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ F3 P13726 1/20 0.41

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
SCHEMBL14131878 0.97 F10 (0.54) F10F2KCNH2PLGPLAT
Trifluoroacetic Acid SCHEMBL3896012 0.91 F10 (0.56) F10F2KCNH2PLG
SCHEMBL13901307 0.91 F10 (0.47) F10F2KCNH2
Trifluoroacetic Acid SCHEMBL3902709 0.90 F10 (0.56) F10F2KCNH2PLGPLAT
Trifluoroacetic Acid SCHEMBL5092482 0.89 F10 (0.45) F10F2PRSS1F3
Trifluoroacetic Acid SCHEMBL5105075 0.89 F10 (0.57) F10F2KCNH2PLGPLAT
Trifluoroacetic Acid SCHEMBL3896414 0.88 F10 (0.53) F10F2PLGPLAT
Trifluoroacetic Acid SCHEMBL3909865 0.87 F10 (0.51) F10F2PLGPLATPRSS1
Trifluoroacetic Acid SCHEMBL3899879 0.87 F10 (0.55) F10F2KCNH2PLGPLAT
SCHEMBL14132093 0.87 F10 (0.56) F10F2KCNH2PLGPLAT

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
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