Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4777995

O=C(Nc1cccc2cnccc12)NC1C2CN(c3ccc(F)cc3F)CC21.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2D6 P10635 1/20 0.45

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
Hydrochloric Acid SCHEMBL4780345 0.94 TRPV1 (0.56) TRPV1CYP3A4CYP2D6
Trifluoromethanesulfonic Acid SCHEMBL4779483 0.92 TRPV1 (0.51) TRPV1CYP3A4CYP2D6
SCHEMBL4781057 0.91 TRPV1 (0.55) TRPV1CYP3A4CYP2D6
SCHEMBL4780302 0.85 TRPV1 (0.52) TRPV1CYP3A4
SCHEMBL4773951 0.82 TRPV1 (0.56) TRPV1CYP3A4
SCHEMBL4776314 0.79 TRPV1 (0.56) TRPV1
SCHEMBL4779514 0.79 KDM4E (0.53) TRPV1CYP3A4
SCHEMBL4458303 0.77 TRPV1 (0.61) TRPV1CYP3A4
SCHEMBL4778197 0.77 KDM4E (0.53) TRPV1CYP3A4
SCHEMBL4779260 0.77 TRPV1 (0.52) TRPV1CYP3A4

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
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO claimed