Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3897265

CN(C)C(=N)c1ccc(C(=O)NCCOc2cc(C(=N)N)ccc2CC(=O)C(=O)O)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.75

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.75
F2 P00734 4/20 0.75
RAB9A P51151 3/20 0.38
KMT2A Q03164 1/20 0.38
PRSS1 P07477 2/20 0.38
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F3 P13726 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PLG P00747 1/20 0.37
PROC P04070 1/20 0.37
KLK1 P06870 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL14132135 0.95 F10 (0.83) F10F2RAB9APRSS1NPC1
Trifluoroacetic Acid SCHEMBL3899621 0.93 F10 (0.75) F10F2RAB9AKMT2APRSS1
SCHEMBL14131792 0.88 F10 (0.83) F10F2RAB9APRSS1NPC1
SCHEMBL14132315 0.87 F10 (1.00) F10F2RAB9APRSS1NPC1
Trifluoroacetic Acid SCHEMBL3905673 0.83 F10 (0.92) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL3905842 0.83 F10 (0.72) F10F2RAB9AKMT2APRSS1
Trifluoroacetic Acid SCHEMBL3902136 0.83 F10 (0.74) F10F2
Trifluoroacetic Acid SCHEMBL6865355 0.82 F10 (0.64) F10F2PRSS1PLGPROC
Trifluoroacetic Acid SCHEMBL4684666 0.82 F10 (0.67) F10F2NPC1F3
SCHEMBL3899625 0.81 F10 (0.62) F10F2RAB9AKMT2APRSS1

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 2 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