Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6539484

CC(C)NC(=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 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.91
ADRB1 P08588 15/20 0.91
ADRB2 P07550 3/20 0.47
CYP2D6 P10635 2/20 0.47
ABCB1 P08183 1/20 0.47
OPRK1 P41145 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.45

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 SCHEMBL7533778 0.90 ADRB3 (0.73) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6538892 0.89 ADRB3 (0.79) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6539537 0.89 ADRB3 (0.81) ADRB3ADRB1ADRB2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6539502 0.88 ADRB3 (0.80) ADRB3ADRB1ADRB2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6539591 0.88 ADRB3 (0.91) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6538830 0.88 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6539498 0.87 ADRB3 (0.75) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6538873 0.87 ADRB3 (0.75) ADRB3ADRB1ADRB2
Trifluoroacetic Acid SCHEMBL6541338 0.87 ADRB3 (0.75) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6538796 0.87 ADRB3 (0.75) ADRB3ADRB1ADRB2

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