Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4462297

FC(F)(F)COCCn1nc(CN2CCOCC2)c2nc(N3CCNCC3)nc(Nc3ccncn3)c21.O=C(O)C(F)(F)F

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.72
KCNH2 Q12809 4/20 0.72

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 SCHEMBL4458733 0.95 PDE5A (0.77) PDE5AKCNH2
SCHEMBL13756465 0.95 PDE5A (0.79) PDE5AKCNH2
Trifluoroacetic Acid SCHEMBL4466207 0.91 PDE5A (0.75) PDE5AKCNH2
SCHEMBL13756459 0.91 PDE5A (0.84) PDE5AKCNH2
SCHEMBL4706547 0.89 PDE5A (0.82) PDE5AKCNH2
SCHEMBL4475468 0.89 PDE5A (0.81) PDE5AKCNH2
Trifluoroacetic Acid SCHEMBL4465608 0.88 PDE5A (0.76) PDE5AKCNH2
Trifluoroacetic Acid SCHEMBL4458713 0.88 PDE5A (0.63) PDE5AKCNH2
SCHEMBL4462464 0.88 PDE5A (0.77) PDE5AKCNH2
SCHEMBL8276274 0.86 PDE5A (0.81) PDE5AKCNH2

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-7569572-B2 Pyrazolo[4,3-D]pyrimidines PFIZER INC (US) 2009-08-04 US disclosed
EP-1742950-B1 PYRAZOLO[4,3-D] PYRIMIDINES PFIZER LTD (GB) 2008-12-17 EP disclosed
US-20080293697-A1 Pyrazolo[4,3-D]Pyrimidines BELL ANDREW SIMON 2008-11-27 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-20080293697-A1 Pyrazolo[4,3-D]Pyrimidines DPYD, TYMS, TYMP PDE5A 1707/4885KCNH2 794/4885

“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.