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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5092482

N=C(N)c1cccc(OC[C@H](Cc2ccc(OC3CCNCC3)cc2)NS(=O)(=O)c2ccccc2C(=O)O)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.45

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 11/20 0.45
▸ F2 P00734 10/20 0.41
▸ F3 P13726 7/20 0.40
▸ PRSS1 P07477 2/20 0.39
▸ TMPRSS6 Q8IU80 4/20 0.39
▸ F7 P08709 2/20 0.39

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
Trifluoroacetic Acid SCHEMBL3900418 0.91 F2 (0.46) F10F2TMPRSS6
Trifluoroacetic Acid SCHEMBL3900322 0.91 F2 (0.46) F10F2TMPRSS6
Trifluoroacetic Acid SCHEMBL3903203 0.89 F10 (0.53) F10F2F3PRSS1
Trifluoroacetic Acid SCHEMBL3895751 0.89 F2 (0.43) F10F2TMPRSS6
Trifluoroacetic Acid SCHEMBL3897239 0.88 F10 (0.51) F10F2TMPRSS6
Trifluoroacetic Acid SCHEMBL3912132 0.87 F10 (0.43) F10F2F3TMPRSS6F7
Trifluoroacetic Acid SCHEMBL3895701 0.87 F10 (0.43) F10F2F3TMPRSS6F7
SCHEMBL14132239 0.86 F10 (0.46) F10F2PRSS1
SCHEMBL14132285 0.86 F10 (0.46) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL3899142 0.86 F2 (0.42) F10F2TMPRSS6

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
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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