Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30258867

O=C(O)C(F)(F)F.[O-][n+]1cccc(-c2c(-n3cc(C(F)(F)F)nn3)ccc(Cl)c2F)c1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 15/20 0.43
▸ KLK1 P06870 5/20 0.39
▸ NOTUM Q6P988 5/20 0.37
▸ F2 P00734 1/20 0.33
▸ KLKB1 P03952 1/20 0.33

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
SCHEMBL30258811 0.93 F11 (0.47) F11KLK1NOTUMF2KLKB1
SCHEMBL30258533 0.76 F11 (0.44) F11KLK1NOTUMF2KLKB1
SCHEMBL30258496 0.74 F11 (0.54) F11KLK1NOTUMF2KLKB1
SCHEMBL31186980 0.74 F11 (0.46) F11KLK1F2KLKB1
SCHEMBL31174073 0.71 F11 (0.40) F11KLK1NOTUM
SCHEMBL29227930 0.70 F11 (0.39) F11KLK1NOTUMKLKB1
SCHEMBL30994997 0.70 F11 (0.39) F11KLK1NOTUMKLKB1
SCHEMBL31174085 0.70 F11 (0.41) F11KLK1NOTUM
SCHEMBL31174097 0.69 F11 (0.38) F11KLK1NOTUMKLKB1
SCHEMBL31174077 0.69 F11 (0.39) F11KLK1NOTUM

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-11814364-B2 Pyridine N-oxide derivatives useful as factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-11-14 — — US disclosed
US-20230091768-A1 PYRIDINE N-OXIDE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-03-23 — — 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-20230091768-A1 PYRIDINE N-OXIDE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS F11, F2, KLKB1 F11 1/4885KLK1 20/4885NOTUM 2057/4885
US-11814364-B2 Pyridine N-oxide derivatives useful as factor XIa inhibitors F11, F2, KLKB1 F11 1/4885KLK1 20/4885NOTUM 2057/4885

“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.

Send feedback