Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4844154

COc1ccccc1CNCC(O)COc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4843616 0.93
Trifluoroacetic Acid SCHEMBL4845402 0.90 MEN1 (0.39) ADRB1ADRB3MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4840500 0.89 BRD4 (0.42) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5258414 0.89 MEN1 (0.43) ADRB1ADRB3MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5260635 0.87
Trifluoroacetic Acid SCHEMBL4846277 0.87 KMT2A (0.42) ADRB1ADRB3MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4844143 0.85 ABL1 (0.49)
Trifluoroacetic Acid SCHEMBL4844208 0.85 CYP3A4 (0.46) ADRB1ADRB3
Trifluoroacetic Acid SCHEMBL4834190 0.84 MEN1 (0.39) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4846811 0.84 ALDH1A1 (0.41) ADRB1ADRB3MEN1KMT2A

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-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 ADRB1 251/4885ADRB3 261/4885MEN1 2592/4885

“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.