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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7533778

CCC(NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.73

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 15/20 0.73
▸ ADRB1 P08588 13/20 0.73
▸ FPR2 P25090 3/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ MAPT P10636 1/20 0.43
▸ ADRB2 P07550 1/20 0.42

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
SCHEMBL7533770 0.90 ADRB3 (0.69) ADRB3ADRB1FPR2ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL6539484 0.90 ADRB3 (0.91) ADRB3ADRB1MAPTADRB2
SCHEMBL7533764 0.88 ADRB3 (0.58) ADRB3ADRB1FPR2
Trifluoroacetic Acid SCHEMBL6539591 0.86 ADRB3 (0.91) ADRB3ADRB1MAPTADRB2
Trifluoroacetic Acid SCHEMBL6538892 0.86 ADRB3 (0.79) ADRB3ADRB1ITGB3ITGA2BMAPT
Trifluoroacetic Acid SCHEMBL6539537 0.86 ADRB3 (0.81) ADRB3ADRB1MAPTADRB2
Trifluoroacetic Acid SCHEMBL6539502 0.85 ADRB3 (0.80) ADRB3ADRB1MAPTADRB2
Trifluoroacetic Acid SCHEMBL6539492 0.85 ADRB3 (0.73) ADRB3ADRB1MAPTADRB2
SCHEMBL6539933 0.85 ADRB3 (0.85) ADRB3ADRB1MAPTADRB2
Trifluoroacetic Acid SCHEMBL6538830 0.84 ADRB3 (0.76) ADRB3ADRB1MAPTADRB2

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-2002024635-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-28 — — WO disclosed