Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3901740

N=C(N)c1ccc(CC(=O)C(=O)O)c(OCCNC(=O)c2ccc(CC3CCNCC3)cc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.66
F2 P00734 5/20 0.66
ROCK2 O75116 1/20 0.39
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
TPSAB1 Q15661 2/20 0.37
TPSD1 Q9BZJ3 2/20 0.37
TPSG1 Q9NRR2 2/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
TBK1 Q9UHD2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13901228 0.96 F10 (0.72) F10F2ROCK2PRSS1PRSS2
SCHEMBL14132033 0.83 F10 (0.77) F10F2PDE4APDE4BPDE4C
Trifluoroacetic Acid SCHEMBL3900529 0.83 F10 (0.62) F10F2ROCK2PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL3905842 0.81 F10 (0.72) F10F2ROCK2PRSS1PRSS2
SCHEMBL14132315 0.81 F10 (1.00) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3899621 0.80 F10 (0.75) F10F2PRSS1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3897265 0.80 F10 (0.75) F10F2PRSS1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3902136 0.80 F10 (0.74) F10F2
Trifluoroacetic Acid SCHEMBL3905673 0.80 F10 (0.92) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL3894473 0.77 F10 (0.93) F10F2PRSS1

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