Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3912340

N=C(N)c1ccc(CC(=O)C(=O)O)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 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.51
▸ F2 P00734 13/20 0.46
▸ TMPRSS6 Q8IU80 8/20 0.42
▸ ITGB3 P05106 2/20 0.41
▸ ITGA2B P08514 2/20 0.41
▸ PLG P00747 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ ST14 Q9Y5Y6 1/20 0.37

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
SCHEMBL14132312 0.97 F10 (0.53) F10F2ITGB3ITGA2BPLG
Trifluoroacetic Acid SCHEMBL3899561 0.90 F10 (0.65) F10F2PLG
Trifluoroacetic Acid SCHEMBL3898064 0.89 F2 (0.43) F10F2TMPRSS6ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3900418 0.86 F2 (0.46) F10F2TMPRSS6ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3900322 0.86 F2 (0.46) F10F2TMPRSS6ITGB3ITGA2B
SCHEMBL14132077 0.86 F10 (0.69) F10F2PLG
SCHEMBL14132313 0.85 F10 (0.44) F10F2ITGB3ITGA2BPLG
Trifluoroacetic Acid SCHEMBL3895751 0.84 F2 (0.43) F10F2TMPRSS6ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3899142 0.83 F2 (0.42) F10F2TMPRSS6ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3897239 0.82 F10 (0.51) F10F2TMPRSS6PLGPLAU

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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