Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4843958

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.OC1CCCN(CCOc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)C1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.44
TBK1 Q9UHD2 7/20 0.42
ACHE P22303 6/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
IKBKE Q14164 4/20 0.41
CDK2 P24941 1/20 0.40
AURKB Q96GD4 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PARP1 P09874 1/20 0.38
DHODH Q02127 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 SCHEMBL4834494 0.95 LTA4H (0.43) CHEK2TBK1ACHEHRH2HRH1
SCHEMBL4845601 0.93 ACHE (0.48) CHEK2TBK1ACHEHRH2HRH1
Trifluoroacetic Acid SCHEMBL4846269 0.90 CHEK2 (0.44) CHEK2TBK1ACHEIKBKECDK2
Trifluoroacetic Acid SCHEMBL4842116 0.90 CHEK2 (0.53) CHEK2TBK1ACHEIKBKECDK2
Trifluoroacetic Acid SCHEMBL4835045 0.90 CHEK2 (0.46) CHEK2TBK1ACHEHRH3IKBKE
Trifluoroacetic Acid SCHEMBL4841798 0.88 MEN1 (0.53) CHEK2KDM4E
SCHEMBL4834847 0.88 LTA4H (0.47) CHEK2TBK1ACHEHRH2HRH1
Trifluoroacetic Acid SCHEMBL4838943 0.86 HRH3 (0.45) CHEK2TBK1ACHEHRH2HRH1
Trifluoroacetic Acid SCHEMBL5258099 0.86 TBK1 (0.44) CHEK2TBK1ACHEIKBKE
Trifluoroacetic Acid SCHEMBL4841456 0.85 CHEK2 (0.45) CHEK2TBK1ACHEIKBKEADORA3

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 CHEK2 309/4885TBK1 1029/4885ACHE 1390/4885

“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.