Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3897990

CC(=N)N1CCC(Oc2ccc(N(CCOc3cccc(C(=N)N)c3)S(=O)(=O)CC(=O)O)cc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.66
F2 P00734 3/20 0.61
KCNH2 Q12809 1/20 0.51

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
Hydrochloric Acid SCHEMBL5864790 0.95 F10 (0.71) F10F2KCNH2
SCHEMBL14132322 0.84 F10 (0.58) F10F2KCNH2
Trifluoroacetic Acid SCHEMBL5099097 0.82 F10 (0.63) F10F2KCNH2
Trifluoroacetic Acid SCHEMBL3317848 0.82 F10 (0.70) F10F2
Trifluoroacetic Acid SCHEMBL3910305 0.81 F10 (0.90) F10F2
SCHEMBL7617008 0.81 F10 (0.68) F10F2KCNH2
SCHEMBL5970756 0.81 F10 (0.68) F10F2KCNH2
SCHEMBL5971381 0.81 F10 (0.70) F10F2KCNH2
Hydrochloric Acid SCHEMBL5970767 0.80 F10 (0.67) F10F2KCNH2
Hydrochloric Acid SCHEMBL5132189 0.80 F10 (0.67) F10F2KCNH2

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 10 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
US-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
EP-1245564-B1 BENZAMIDINE DERIVATIVES SANKYO CO (JP) 2006-04-05 EP disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 EP disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040147555-A1 Benzamidine derivatives F9, F7, F2 F10 6/4885F2 3/4885KCNH2 153/4885
US-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 F10 8/4885F2 3/4885KCNH2 530/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 F10 8/4885F2 3/4885KCNH2 554/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.