Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3907508

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

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.50
LNPEP Q9UIQ6 1/20 0.46
F2 P00734 5/20 0.42
PLG P00747 3/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
HPN P05981 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRK1 P41145 1/20 0.42
PLAT P00750 1/20 0.40
PLAU P00749 1/20 0.39

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 SCHEMBL3900239 1.00 F10 (0.50) F10LNPEPF2PLGPRSS1
SCHEMBL3906910 0.96 F10 (0.51) F10LNPEPF2PLGPRSS1
SCHEMBL14132230 0.96 F10 (0.51) F10LNPEPF2PLGPRSS1
Trifluoroacetic Acid SCHEMBL3900465 0.87 F10 (0.47) F10LNPEPF2PLGST14
Trifluoroacetic Acid SCHEMBL3905613 0.87 ST14 (0.50) F10F2PLGST14HPN
Trifluoroacetic Acid SCHEMBL3898369 0.84 F10 (0.44) F10LNPEPF2PLGST14
Trifluoroacetic Acid SCHEMBL3901214 0.84 F10 (0.54) F10F2PLGST14HPN
Trifluoroacetic Acid SCHEMBL3906991 0.83 F10 (0.47) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL3908408 0.83 F10 (0.47) F10F2PRSS1
SCHEMBL14132231 0.83 ST14 (0.53) F10F2PLGST14HPN

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