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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6569991

CCC(=O)c1cccc(-c2ccc(C(=O)Nc3ccc(OC)c(OCCN(C(C)C)C(C)C)c3)cc2)c1.COc1ccc(NC(=O)c2ccc(-c3cccc(C(=O)OC(C)C)c3)cc2)cc1OCCN(C(C)C)C(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.64

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 19/20 0.64
▸ HTR2C P28335 1/20 0.63
▸ SLC2A1 P11166 1/20 0.49

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 SCHEMBL6570867 0.96 MCHR1 (0.69) MCHR1HTR2CSLC2A1
Trifluoroacetic Acid SCHEMBL6570904 0.91 MCHR1 (0.71) MCHR1HTR2CSLC2A1
SCHEMBL6570538 0.90 MCHR1 (0.74) MCHR1HTR2CSLC2A1
Trifluoroacetic Acid SCHEMBL6569170 0.89 MCHR1 (0.72) MCHR1HTR2CSLC2A1
Trifluoroacetic Acid SCHEMBL6569994 0.89 MCHR1 (0.54) MCHR1HTR2CSLC2A1
Trifluoroacetic Acid SCHEMBL6570567 0.86 MCHR1 (0.72) MCHR1HTR2CSLC2A1
SCHEMBL6569846 0.84 MCHR1 (0.72) MCHR1HTR2CSLC2A1
Trifluoroacetic Acid SCHEMBL6928622 0.83 MCHR1 (0.67) MCHR1HTR2CSLC2A1
SCHEMBL6927129 0.82 MCHR1 (0.93) MCHR1HTR2CSLC2A1
SCHEMBL6926340 0.82 MCHR1 (0.92) MCHR1HTR2CSLC2A1

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
EP-1140072-B1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-04-14 — — EP disclosed