Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3899429

N=C(N)c1cccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCNCC3)cc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.60
PRSS1 P07477 3/20 0.53
PLG P00747 1/20 0.53
PROC P04070 1/20 0.53
KLK1 P06870 1/20 0.53
F2 P00734 5/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.41
TMPRSS6 Q8IU80 1/20 0.41

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
SCHEMBL14131777 0.95 F10 (0.66) F10PRSS1PLGPROCKLK1
Trifluoroacetic Acid SCHEMBL3905810 0.89 F10 (0.63) F10PRSS1PLGPROCKLK1
Trifluoroacetic Acid SCHEMBL3900562 0.86 F10 (0.75) F10PRSS1PLGPROCKLK1
SCHEMBL14132178 0.83 F10 (0.69) F10PRSS1PLGPROCKLK1
Trifluoroacetic Acid SCHEMBL3895029 0.83 F10 (0.86) F10PRSS1PLGPROCKLK1
Trifluoroacetic Acid SCHEMBL3903060 0.81 F10 (0.79) F10PRSS1PLGPROCKLK1
Trifluoroacetic Acid SCHEMBL3970578 0.81 F10 (0.61) F10PRSS1F2MAPTALDH1A1
Trifluoroacetic Acid SCHEMBL3896028 0.81 F10 (0.68) F10PRSS1PLGPROCKLK1
SCHEMBL14132282 0.81 F10 (0.83) F10PRSS1PLGPROCKLK1
Trifluoroacetic Acid SCHEMBL3911547 0.80 F10 (0.77) F10PRSS1PLGPROCKLK1

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