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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4562899

COc1cc2c(ccn2C(C)(C)C)c2c1OCCN(C(=O)O)C2C.COc1cc2c(ccn2S(=O)(=O)c2ccc(Cl)cc2Cl)c2c1OCCNC2C.O=C(O)C(F)(F)F

nearest known ligand 0.31

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CPT2 P23786 2/20 0.31
▸ CPT1A P50416 2/20 0.31
▸ CPT1B Q92523 1/20 0.30

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 SCHEMBL1998592 0.90 CPT1A (0.33) CPT2CPT1ACPT1B
SCHEMBL1996300 0.84 HTR6 (0.35) —
Trifluoroacetic Acid SCHEMBL1995689 0.83 HTR6 (0.39) —
SCHEMBL1997934 0.80 ALDH1A1 (0.36) CPT2CPT1ACPT1B
SCHEMBL4418093 0.79 FABP4 (0.40) CPT2CPT1ACPT1B
Trifluoroacetic Acid SCHEMBL1997134 0.78 FABP4 (0.38) —
Trifluoroacetic Acid SCHEMBL1994705 0.78 CPT2 (0.39) CPT2CPT1ACPT1B
SCHEMBL1995809 0.76 HTR6 (0.43) —
Trifluoroacetic Acid SCHEMBL2002913 0.76 HTR6 (0.37) —
Trifluoroacetic Acid SCHEMBL4566642 0.75 CPT2 (0.31) CPT2CPT1ACPT1B

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-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 — — EP disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 — — WO disclosed