Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3900546

N=C(N)c1cccc(OCCCNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)OCc2ccccc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.45
F2 P00734 5/20 0.43
TMPRSS6 Q8IU80 4/20 0.43
ITGB3 P05106 6/20 0.43
ITGA2B P08514 6/20 0.43
CTSK P43235 2/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CA2 P00918 1/20 0.42
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
TACR1 P25103 1/20 0.41
NMBR P28336 1/20 0.41
TPSAB1 Q15661 1/20 0.40

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 SCHEMBL3909089 0.91 F10 (0.52) F10F2TMPRSS6ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3901330 0.91 F10 (0.52) F10F2TMPRSS6ITGB3ITGA2B
SCHEMBL14132050 0.88 F10 (0.55) F10F2ITGB3ITGA2BCTSK
SCHEMBL14132266 0.88 F10 (0.55) F10F2ITGB3ITGA2BCTSK
Trifluoroacetic Acid SCHEMBL3897929 0.88 F10 (0.44) F10F2TMPRSS6ITGB3ITGA2B
SCHEMBL14132055 0.85 F10 (0.45) F10CTSKCTSBCTSS
Trifluoroacetic Acid SCHEMBL3898325 0.85 F10 (0.49) F10F2TMPRSS6ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL5096424 0.84 SIRT2 (0.53) F10ITGB3ITGA2BCTSLCTSS
Trifluoroacetic Acid SCHEMBL3897942 0.84 F10 (0.52) F10F2ITGB3ITGA2BCTSK
Trifluoroacetic Acid SCHEMBL5092493 0.84 F10 (0.52) F10F2ITGB3ITGA2BCTSK

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