Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4844208

COCCNCC(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 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL4841671 0.93 CYP3A4 (0.43) CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4837229 0.90 KDM4E (0.40) KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL5260635 0.89
SCHEMBL6218763 0.88 CYP3A4 (0.41) CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL5261300 0.88 KDM4E (0.42) CYP3A4CYP2D6KDM4EALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL5258414 0.86 MEN1 (0.43) ADRB2ADRB1ADRB3
Trifluoroacetic Acid SCHEMBL4834190 0.85 MEN1 (0.39)
Trifluoroacetic Acid SCHEMBL4846277 0.85 KMT2A (0.42) ALDH1A1ADRB1ADRB3
Trifluoroacetic Acid SCHEMBL4844154 0.85 ADRB1 (0.39) ADRB1ADRB3
Trifluoroacetic Acid SCHEMBL4834992 0.85 HDAC3 (0.36)

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 CYP3A4 1588/4885CYP2D6 1106/4885KDM4E 2903/4885

“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.