Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3897239

N=C(N)c1cccc(OC[C@H](Cc2ccc(OC3CCNCC3)cc2)NS(=O)(=O)c2ccc3ccccc3c2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.51
F2 P00734 9/20 0.51
PLAU P00749 6/20 0.51
PLG P00747 6/20 0.51
ST14 Q9Y5Y6 5/20 0.51
HPN P05981 1/20 0.45
HGFAC Q04756 1/20 0.45
TMPRSS6 Q8IU80 3/20 0.45

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
SCHEMBL14132088 0.95 F10 (0.53) F10F2PLAUPLGST14
Trifluoroacetic Acid SCHEMBL3900418 0.94 F2 (0.46) F10F2PLAUPLGST14
Trifluoroacetic Acid SCHEMBL3900322 0.94 F2 (0.46) F10F2PLAUPLGST14
Trifluoroacetic Acid SCHEMBL3895751 0.92 F2 (0.43) F10F2PLAUPLGST14
Trifluoroacetic Acid SCHEMBL3899142 0.90 F2 (0.42) F10F2PLAUPLGST14
Trifluoroacetic Acid SCHEMBL3896414 0.89 F10 (0.53) F10F2PLAUPLGST14
SCHEMBL14132239 0.89 F10 (0.46) F10F2PLAUPLGST14
SCHEMBL14132285 0.89 F10 (0.46) F10F2PLAUPLGST14
Trifluoroacetic Acid SCHEMBL3897232 0.89 F2 (0.39) F10F2PLAUPLGST14
Trifluoroacetic Acid SCHEMBL3898125 0.88 F2 (0.44) F10F2PLAUTMPRSS6

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