Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6806496

CCOC(=O)NCCCC(=O)NCC(=O)NC(CC(=O)O)c1ccc(-c2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 7/20 0.55
ITGB6 P18564 5/20 0.55
ITGB1 P05556 1/20 0.55
ITGA5 P08648 1/20 0.55
ITGB3 P05106 6/20 0.54
ITGB5 P18084 4/20 0.54
ITGA2B P08514 2/20 0.54
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
CYP3A4 P08684 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
Trifluoroacetic Acid SCHEMBL6806766 0.95 ITGAV (0.51) ITGAVITGB6ITGB1ITGA5ITGB3
SCHEMBL6546474 0.94 ITGAV (0.59) ITGAVITGB6ITGB1ITGA5ITGB3
Trifluoroacetic Acid SCHEMBL6810305 0.91 ITGAV (0.53) ITGAVITGB6ITGB1ITGA5ITGB3
Trifluoroacetic Acid SCHEMBL6803276 0.90 ITGAV (0.54) ITGAVITGB6ITGB1ITGA5ITGB3
SCHEMBL6806500 0.89 ITGAV (0.46) ITGAVITGB6ITGB1ITGA5ITGB3
SCHEMBL6545825 0.89 ITGAV (0.56) ITGAVITGB6ITGB1ITGA5ITGB3
Trifluoroacetic Acid SCHEMBL6545838 0.87 ITGAV (0.56) ITGAVITGB6ITGB1ITGA5ITGB3
Trifluoroacetic Acid SCHEMBL6545498 0.87 ITGAV (0.56) ITGAVITGB6ITGB1ITGA5ITGB3
Trifluoroacetic Acid SCHEMBL6545860 0.87 ITGAV (0.56) ITGAVITGB6ITGB1ITGA5ITGB3
SCHEMBL6545508 0.86 ITGAV (0.57) ITGAVITGB6ITGB1ITGA5ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin MERCK PATENT GMBH (DE) 2004-07-22 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-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin ITGB6, ITGAV, ITGB1 ITGAV 2/4885ITGB6 1/4885ITGB1 3/4885

“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.