Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3898064

N=C(N)c1ccc(I)c(OC[C@H](Cc2ccc(OC3CCNCC3)cc2)NS(=O)(=O)c2ccccc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 12/20 0.43
▸ F10 P00742 6/20 0.43
▸ TMPRSS6 Q8IU80 9/20 0.43
▸ ITGB3 P05106 5/20 0.42
▸ ITGA2B P08514 5/20 0.42

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
SCHEMBL14132313 0.96 F10 (0.44) F2F10ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3912340 0.89 F10 (0.51) F2F10TMPRSS6ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3900418 0.89 F2 (0.46) F2F10TMPRSS6ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3900322 0.89 F2 (0.46) F2F10TMPRSS6ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3895751 0.85 F2 (0.43) F2F10TMPRSS6ITGB3ITGA2B
SCHEMBL14132312 0.85 F10 (0.53) F2F10ITGB3ITGA2B
SCHEMBL14132239 0.84 F10 (0.46) F2F10ITGB3ITGA2B
SCHEMBL14132285 0.84 F10 (0.46) F2F10ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3899142 0.84 F2 (0.42) F2F10TMPRSS6ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3894631 0.83 F2 (0.48) F2F10TMPRSS6ITGB3ITGA2B

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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