Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3974775

N=C(N)c1cccc(OCCNC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.64

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.64
PRSS1 P07477 3/20 0.49
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
EPHX2 P34913 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PRSS2 P07478 1/20 0.46
C1S P09871 1/20 0.46
PRSS3 P35030 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL14131982 0.95 F10 (0.69) F10PRSS1KMT2ALMNANPC1
Trifluoroacetic Acid SCHEMBL3902693 0.91 F10 (0.64) F10PRSS1NPC1PKMEPHX2
Trifluoroacetic Acid SCHEMBL3968850 0.89 F10 (0.61) F10PRSS1NPC1PKMEPHX2
Trifluoroacetic Acid SCHEMBL3910396 0.89 F10 (0.61) F10PRSS1NPC1PKMEPHX2
Trifluoroacetic Acid SCHEMBL3968459 0.88 F10 (0.62) F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3970578 0.86 F10 (0.61) F10PRSS1KMT2APKMF2
SCHEMBL14132041 0.85 F10 (0.70) F10PRSS1NPC1PKMEPHX2
Trifluoroacetic Acid SCHEMBL3973028 0.84 F10 (0.90) F10F2
Trifluoroacetic Acid SCHEMBL3901365 0.84 F10 (0.89) F10PRSS1F2PLG
Trifluoroacetic Acid SCHEMBL3898005 0.83 F10 (0.58) F10PRSS1NPC1PKMEPHX2

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