Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3905613

N=C(N)c1cccc(OC[C@H](Cc2ccc(OC3CCN(C(=O)OCc4ccccc4)CC3)cc2)NS(=O)(=O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 7/20 0.50
HPN P05981 3/20 0.50
F2 P00734 9/20 0.47
F10 P00742 7/20 0.47
PLG P00747 5/20 0.47
PLAU P00749 3/20 0.47
TMPRSS6 Q8IU80 6/20 0.46
ITGB3 P05106 1/20 0.43
ITGA2B P08514 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
SCHEMBL14132231 0.97 ST14 (0.53) ST14HPNF2F10PLG
Trifluoroacetic Acid SCHEMBL3901214 0.94 F10 (0.54) ST14HPNF2F10PLG
Trifluoroacetic Acid SCHEMBL3909125 0.93 F10 (0.48) ST14HPNF2F10PLG
Trifluoroacetic Acid SCHEMBL3900465 0.92 F10 (0.47) ST14HPNF2F10PLG
SCHEMBL14132293 0.91 F10 (0.57) ST14HPNF2F10PLG
Trifluoroacetic Acid SCHEMBL3896012 0.91 F10 (0.56) ST14F2F10PLGPLAU
Trifluoroacetic Acid SCHEMBL3898369 0.89 F10 (0.44) ST14HPNF2F10PLG
SCHEMBL14132085 0.89 ST14 (0.48) ST14HPNF2F10PLG
Trifluoroacetic Acid SCHEMBL3909865 0.88 F10 (0.51) ST14F2F10PLGPLAU
Trifluoroacetic Acid SCHEMBL3900239 0.87 F10 (0.50) ST14HPNF2F10PLG

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