Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3896482

N=C(N)c1ccc(C(=O)NCCCc2cccc(C(=N)N)c2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.76

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 8/20 0.76
▸ MLYCD O95822 3/20 0.58
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ PRSS1 P07477 3/20 0.52
▸ ITGB3 P05106 1/20 0.51
▸ ITGA2B P08514 1/20 0.51
▸ F2 P00734 6/20 0.51
▸ TMPRSS6 Q8IU80 4/20 0.51
▸ PLG P00747 1/20 0.51
▸ PROC P04070 1/20 0.51
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49

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
SCHEMBL3905687 0.92 F10 (0.84) F10MLYCDNPC1RAB9APRSS1
Trifluoroacetic Acid SCHEMBL3900211 0.83 F10 (0.80) F10NPC1RAB9APRSS1F2
SCHEMBL7090553 0.81 F10 (0.71) F10NPC1RAB9APRSS1ITGB3
Trifluoroacetic Acid SCHEMBL3905809 0.80 F10 (0.71) F10NPC1RAB9APRSS1F2
Trifluoroacetic Acid SCHEMBL3895029 0.80 F10 (0.86) F10NPC1RAB9APRSS1F2
Trifluoroacetic Acid SCHEMBL3896058 0.79 F10 (0.57) F10NPC1RAB9AF2TMPRSS6
Trifluoroacetic Acid SCHEMBL3899547 0.78 F10 (0.72) F10NPC1RAB9APRSS1F2
SCHEMBL7083227 0.78 F10 (0.66) F10NPC1RAB9APRSS1ITGB3
Trifluoroacetic Acid SCHEMBL3899583 0.77 F10 (0.74) F10NPC1RAB9APRSS1F2
SCHEMBL7090139 0.77 F10 (0.65) F10NPC1RAB9APRSS1ITGB3

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
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