Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3909089

N=C(N)c1cccc(OCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.52
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 1/20 0.52
ITGB3 P05106 5/20 0.51
ITGA2B P08514 5/20 0.51
TACR1 P25103 2/20 0.50
F2 P00734 6/20 0.49
TMPRSS6 Q8IU80 4/20 0.49
PLG P00747 2/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
C1S P09871 1/20 0.47
PRSS3 P35030 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL3901330 1.00 F10 (0.52) F10CTSLCTSBCTSSCTSK
SCHEMBL14132266 0.97 F10 (0.55) F10CTSLCTSBCTSSCTSK
SCHEMBL14132050 0.97 F10 (0.55) F10CTSLCTSBCTSSCTSK
Trifluoroacetic Acid SCHEMBL3898325 0.92 F10 (0.49) F10CTSLCTSSCTSKITGB3
Trifluoroacetic Acid SCHEMBL5096424 0.91 SIRT2 (0.53) F10CTSLCTSSITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3900546 0.91 F10 (0.45) F10CTSLCTSBCTSSCTSK
Trifluoroacetic Acid SCHEMBL5092493 0.91 F10 (0.52) F10CTSLCTSSCTSKITGB3
Trifluoroacetic Acid SCHEMBL3897942 0.91 F10 (0.52) F10CTSLCTSSCTSKITGB3
SCHEMBL14132310 0.88 F10 (0.52) F10CTSLCTSSCTSKF2
SCHEMBL3898330 0.87 F10 (0.47) F10CTSLCTSSCTSKF2

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