Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6703829

O=C(O)C(F)(F)F.OC[C@@H]1C[C@H]1c1c[nH]cn1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.35
CHRNA4 P43681 8/20 0.35
CHRNA3 P32297 3/20 0.31
CHRNB3 Q05901 3/20 0.31
CHRNA6 Q15825 3/20 0.31
HTR2C P28335 2/20 0.31

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 SCHEMBL6781867 1.00 CHRNB2 (0.35) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL6137253 0.87
SCHEMBL6137258 0.87
SCHEMBL6781869 0.80 CHRNB2 (0.32) CHRNB2CHRNA4
Trifluoroacetic Acid SCHEMBL6703765 0.78 KDM4E (0.31)
Trifluoroacetic Acid SCHEMBL6792658 0.78 KDM4E (0.31)
Trifluoroacetic Acid SCHEMBL6705344 0.77
Trifluoroacetic Acid SCHEMBL6785439 0.77
Trifluoroacetic Acid SCHEMBL6704433 0.76 KDM4E (0.30)
SCHEMBL6136828 0.71 HRH3 (0.46) HTR2C

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
US-6794405-B2 Alicyclic imidazoles as H3 agents MERCK & CO., INC. 2004-09-21 US disclosed
US-20040029943-A1 Novel alicylic imidazoles as H3 agents MERCK SHARP & DOHME CORP. 2004-02-12 US disclosed
US-20020042400-A1 Novel alicyclic imidazoles as H3 agents GLIATECH, INC. 2002-04-11 US 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 (2 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-20040029943-A1 Novel alicylic imidazoles as H3 agents HRH3, HRH2, HRH4 CHRNB2 465/4885CHRNA4 264/4885CHRNA3 107/4885
US-20020042400-A1 Novel alicyclic imidazoles as H3 agents HRH3, HRH2, HRH4 CHRNB2 403/4885CHRNA4 164/4885CHRNA3 91/4885

“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.