Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3819880

CNC1CN(c2nc(N)nc3c2CC[C@H]2CCCC[C@H]32)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
HRH4 Q9H3N8 19/20 0.43
HRH3 Q9Y5N1 10/20 0.43
KCNH2 Q12809 3/20 0.38
HRH1 P35367 2/20 0.38
HRH2 P25021 1/20 0.38

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 SCHEMBL3819882 1.00 HRH4 (0.43) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL604077 0.90 HRH4 (0.52) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL605645 0.90 HRH4 (0.52) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL604078 0.90 HRH4 (0.52) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL604076 0.90 HRH4 (0.52) HRH4HRH3KCNH2HRH1HRH2
SCHEMBL605644 0.90 HRH4 (0.52) HRH4HRH3KCNH2HRH1HRH2
Trifluoroacetic Acid SCHEMBL3816454 0.90 HRH3 (0.35) HRH4HRH3
Trifluoroacetic Acid SCHEMBL3816458 0.90 HRH3 (0.35) HRH4HRH3
SCHEMBL603305 0.82 HRH4 (0.64) HRH4HRH3KCNH2
SCHEMBL604968 0.82 HRH4 (0.64) HRH4HRH3KCNH2

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-8278311-B2 Substituted pyrimidine derivatives ABBOTT LABORATORIES (US) 2012-10-02 US disclosed
US-20090270364-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-29 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 (1 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-20090270364-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS HRH4 1147/4885HRH3 713/4885KCNH2 2835/4885

“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.