Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7790815

O=C(O)C(F)(F)F.O=C(O)CC1(O)CCC(CC(=O)N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.47
ITGA2B P08514 18/20 0.47
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7787513 0.94 ITGB3 (0.49) ITGB3ITGA2BCYP3A4CYP2D6CYP2C9
SCHEMBL7791932 0.85 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7790821 0.85 CYP2D6 (0.42) ITGB3ITGA2BDPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL7791942 0.85 ITGB3 (0.48) ITGB3ITGA2BDPP4DPP8DPP7
SCHEMBL7788394 0.84 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7790818 0.83 ITGB3 (0.45) ITGB3ITGA2BDPP4DPP8DPP7
SCHEMBL7790324 0.82 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7790838 0.82 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7791950 0.81 CYP2D6 (0.43) ITGB3ITGA2BCYP3A4CYP2D6CYP2C9
SCHEMBL7787414 0.79 ITGB3 (0.56) ITGB3ITGA2B

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-20010009912-A1 NEW DERIVATIVES OF PYRIDIL PIPERAZINE OR PYRIDAZINYL PIPERAZYL, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS TSAKLAKIDIS CHRISTOS (DE) 2001-07-26 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-20010009912-A1 NEW DERIVATIVES OF PYRIDIL PIPERAZINE OR PYRIDAZINYL PIPERAZYL, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS CYP4B1, NR4A1, CYP3A43 ITGB3 1193/4885ITGA2B 3222/4885DPP4 408/4885

“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.