Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6538460

O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc(Cl)c1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.71
ADRB1 P08588 16/20 0.71
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ADRB2 P07550 3/20 0.44
CDK8 P49336 1/20 0.40

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 SCHEMBL6539886 0.94 ADRB3 (0.75) ADRB3ADRB1MEN1LMNAMAPT
Trifluoroacetic Acid SCHEMBL6538830 0.88 ADRB3 (0.76) ADRB3ADRB1MEN1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL6539378 0.88 ADRB3 (0.76) ADRB3ADRB1MAPT
Trifluoroacetic Acid SCHEMBL6539409 0.87 ADRB3 (0.75) ADRB3ADRB1MEN1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL6538530 0.87 ADRB3 (0.76) ADRB3ADRB1MEN1LMNAMAPT
Trifluoroacetic Acid SCHEMBL6539730 0.87 ADRB3 (0.75) ADRB3ADRB1MAPTADRB2
Trifluoroacetic Acid SCHEMBL6539537 0.86 ADRB3 (0.81) ADRB3ADRB1MEN1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL6539502 0.85 ADRB3 (0.80) ADRB3ADRB1MEN1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL6539240 0.85 ADRB3 (0.71) ADRB3ADRB1
Trifluoroacetic Acid SCHEMBL6538892 0.85 ADRB3 (0.79) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6826033-B2 BETA 3 ADRENERGIC RECEPTOR AGONISTS; TREATMENT OF POLLAKIURIA, URINARY INCONTINENCE, OBESITY OR DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-20040037022-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-02-26 US disclosed
WO-2002024635-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-28 WO disclosed