Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1486539

CCCCc1nc2c(N)nc3ccc(OCc4cccc(C#N)c4)cc3c2n1C.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.45
TLR8 Q9NR97 3/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL1486525 0.83 TLR7 (0.57) TLR7TLR8
SCHEMBL1486587 0.82 TLR7 (0.61) TLR7TLR8
Trifluoroacetic Acid SCHEMBL1486480 0.81 TLR7 (0.47) TLR7TLR8
SCHEMBL1486538 0.80 TLR7 (0.47) TLR7TLR8
SCHEMBL1486544 0.79 AS3MT (0.40) TLR7TLR8FFAR1FFAR4
Trifluoroacetic Acid SCHEMBL1486508 0.78 TLR7 (0.46) TLR7TLR8
SCHEMBL1486457 0.77 TLR7 (0.57) TLR7TLR8
SCHEMBL4237140 0.75 TLR7 (0.53) TLR7
SCHEMBL4245952 0.74 MTNR1A (0.47) TLR7TLR8
SCHEMBL4244181 0.74 TLR7 (0.48) TLR7TLR8

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658076-B1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2013-03-06 EP disclosed
US-8263594-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-09-11 US disclosed
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2011-06-16 US disclosed
US-7897597-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
EP-1658076-A4 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 EP disclosed
US-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2009-01-15 US disclosed
EP-1658076-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-05-24 EP disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 WO 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-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines IL2, IFNG, IRF3 TLR7 45/4885TLR8 79/4885FFAR1 1740/4885
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 42/4885TLR8 70/4885FFAR1 1616/4885

“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.