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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3949784

N#Cc1ccc(OP(=O)(O)CNS(=O)(=O)c2cc3c(Cl)c(OCCN)c(OCCN)c(Cl)c3s2)cc1C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 3/20 0.34
▸ AR P10275 5/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PLA2G7 Q13093 3/20 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
SCHEMBL3945504 0.96 TRPV4 (0.36) TRPV4ARCYP2D6CYP2C9CYP2C19
SCHEMBL3945510 0.90 TRPV4 (0.36) TRPV4ARCYP2D6CYP2C9CYP2C19
SCHEMBL13032025 0.88 TRPV4 (0.37) TRPV4
SCHEMBL3950721 0.86 TRPV4 (0.36) TRPV4ARCYP2D6CYP2C9CYP2C19
SCHEMBL12979831 0.85 AR (0.34) TRPV4ARPLA2G7
Trifluoroacetic Acid SCHEMBL3950454 0.85 TRPV4 (0.35) TRPV4
Trifluoroacetic Acid SCHEMBL3480227 0.83 TRPV4 (0.31) TRPV4
Trifluoroacetic Acid SCHEMBL3939875 0.83 TRPV4 (0.36) TRPV4
Trifluoroacetic Acid SCHEMBL3948690 0.82 PLA2G7 (0.34) TRPV4ARPLA2G7
SCHEMBL13032111 0.82 AR (0.34) TRPV4ARCYP2D6CYP2C9CYP2C19

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