Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6539591

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

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.91
ADRB1 P08588 17/20 0.91
ADRB2 P07550 3/20 0.47
MAPT P10636 1/20 0.44

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
SCHEMBL7532101 0.95 ADRB3 (1.00) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6539091 0.93 ADRB3 (0.78) ADRB3ADRB1ADRB2
Trifluoroacetic Acid SCHEMBL6539390 0.91 ADRB3 (0.76) ADRB3ADRB1ADRB2
Trifluoroacetic Acid SCHEMBL6538873 0.89 ADRB3 (0.75) ADRB3ADRB1ADRB2
Trifluoroacetic Acid SCHEMBL6539498 0.89 ADRB3 (0.75) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6539771 0.89 ADRB3 (0.73) ADRB3ADRB1ADRB2
SCHEMBL6539933 0.88 ADRB3 (0.85) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6539484 0.88 ADRB3 (0.91) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6538892 0.88 ADRB3 (0.79) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6539537 0.87 ADRB3 (0.81) ADRB3ADRB1ADRB2MAPT

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
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