Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7020020

O=C(Cc1ccc(Cl)c(Cl)c1)N(CCc1nc2ccccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1)Cc1cccnc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 20/20 0.53

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 SCHEMBL5833075 0.84 CXCR3 (0.73) CXCR3
SCHEMBL7021043 0.81 CXCR3 (0.62) CXCR3
SCHEMBL18092522 0.76 CXCR3 (0.73) CXCR3
SCHEMBL433440 0.74 CXCR3 (0.71) CXCR3
SCHEMBL3103736 0.72 CXCR3 (0.60) CXCR3
SCHEMBL5578380 0.68 PDE10A (0.53)
SCHEMBL16209820 0.68 CXCR3 (0.73) CXCR3
SCHEMBL5838280 0.67 CXCR3 (1.00) CXCR3
SCHEMBL5578378 0.67 PDE10A (0.58)
Hydrochloric Acid SCHEMBL5833406 0.67 CXCR3 (0.99) CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343505-A1 CXCR3 ANTAGONISTS Tularik Inc. (US) 2003-09-17 EP disclosed
WO-2002083143-A1 CXCR3 ANTAGONISTS TULARIK INC. (US) 2002-10-24 WO disclosed