Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3897232

N=C(N)c1cccc(OC[C@H](Cc2ccc(OC3CCNCC3)cc2)NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.39
TMPRSS6 Q8IU80 8/20 0.39
F10 P00742 7/20 0.39
PLG P00747 3/20 0.39
PLAU P00749 3/20 0.39
ST14 Q9Y5Y6 3/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL14132318 0.97 F10 (0.41) F2F10PLGPLAUST14
Trifluoroacetic Acid SCHEMBL3900322 0.92 F2 (0.46) F2TMPRSS6F10PLGPLAU
Trifluoroacetic Acid SCHEMBL3900418 0.92 F2 (0.46) F2TMPRSS6F10PLGPLAU
Trifluoroacetic Acid SCHEMBL3895751 0.91 F2 (0.43) F2TMPRSS6F10PLGPLAU
Trifluoroacetic Acid SCHEMBL3902628 0.91 F10 (0.51) F2F10PLGPLAUST14
Trifluoroacetic Acid SCHEMBL3899142 0.89 F2 (0.42) F2TMPRSS6F10PLGPLAU
Trifluoroacetic Acid SCHEMBL3897239 0.89 F10 (0.51) F2TMPRSS6F10PLGPLAU
SCHEMBL14132240 0.88 F10 (0.43) F2F10PLGPLAUST14
Trifluoroacetic Acid SCHEMBL3898125 0.88 F2 (0.44) F2TMPRSS6F10PLAUITGB3
SCHEMBL14132069 0.88 F10 (0.45) F2F10PLGPLAUST14

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