Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3945918

CCc1c(S(=O)(=O)NCP(=O)(O)Oc2ccc(C#N)c(F)c2)sc2cc(OCCCNC(=N)N)c(OCCCNC(=N)N)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 12/20 0.32

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
SCHEMBL3947948 0.96 TRPV4 (0.33) TRPV4
Trifluoroacetic Acid SCHEMBL3948279 0.92 TRPV4 (0.33) TRPV4
SCHEMBL13032208 0.88 TRPV4 (0.35) TRPV4
SCHEMBL14931350 0.87 TRPV4 (0.34) TRPV4
SCHEMBL13032007 0.86 TRPV4 (0.35) TRPV4
SCHEMBL13024071 0.85 EGLN1 (0.32) TRPV4
Trifluoroacetic Acid SCHEMBL3484067 0.85
Trifluoroacetic Acid SCHEMBL3944485 0.84 CACNA1B (0.35) TRPV4
SCHEMBL13021453 0.84 KMT2A (0.32)
Trifluoroacetic Acid SCHEMBL3950645 0.83 TRPV4 (0.34) TRPV4

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-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO disclosed