Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6971868

CC1CCC(NCCC2CCCCC(=N)N2)=N1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.30

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.30

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
SCHEMBL6972498 0.89 NISCH (0.34) NISCH
Trifluoroacetic Acid SCHEMBL7618508 0.73 SLC1A2 (0.34)
SCHEMBL6969922 0.70 CYP2D6 (0.43) NISCH
SCHEMBL6972842 0.69 CYP2D6 (0.46)
SCHEMBL6969391 0.68
Trifluoroacetic Acid SCHEMBL9082506 0.63 TP53 (0.34)
SCHEMBL6969162 0.63 CXCR4 (0.45)
SCHEMBL7627309 0.63 ITGB3 (0.44)
Trifluoroacetic Acid SCHEMBL6979070 0.63 TP53 (0.36)
SCHEMBL6979755 0.62 HTR1A (0.39)

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
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed