Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3842236

O=C(NCC1CCCCC1)c1c(Cl)ccc2nc(N3CCC[C@H]3C(=O)O)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.58

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
SCHEMBL1802708 0.95 P2RX7 (0.61) P2RX7
SCHEMBL1809913 0.95 P2RX7 (0.61) P2RX7
SCHEMBL13813722 0.95 P2RX7 (0.61) P2RX7
SCHEMBL3837074 0.85 P2RX7 (0.54) P2RX7
SCHEMBL3837001 0.85 P2RX7 (0.54) P2RX7
SCHEMBL5108976 0.84 P2RX7 (0.61) P2RX7
Trifluoroacetic Acid SCHEMBL3836980 0.82 P2RX7 (0.52) P2RX7
SCHEMBL3843656 0.80 P2RX7 (0.51) P2RX7
SCHEMBL1804368 0.79 P2RX7 (0.69) P2RX7
SCHEMBL5745880 0.78 P2RX7 (0.67) P2RX7

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-1633717-B1 P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2009-10-28 EP claimed