Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6538547

N#Cc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.74
ADRB1 P08588 14/20 0.74
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ADRB2 P07550 1/20 0.43
PPIA P62937 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 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
SCHEMBL7531078 0.96 ADRB3 (0.80) ADRB3ADRB1MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL6538900 0.89 ADRB3 (0.78) ADRB3ADRB1MEN1KMT2AADRB2
Trifluoroacetic Acid SCHEMBL6539346 0.88 ADRB3 (0.76) ADRB3ADRB1MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL6538659 0.88 ADRB3 (0.77) ADRB3ADRB1MAPTADRB2
Trifluoroacetic Acid SCHEMBL6538530 0.88 ADRB3 (0.76) ADRB3ADRB1MEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL6539367 0.88 ADRB3 (0.92) ADRB3ADRB1MEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL6539325 0.88 ADRB3 (0.76) ADRB3ADRB1MEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL6538586 0.88 ADRB3 (0.81) ADRB3ADRB1MEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL6539537 0.86 ADRB3 (0.81) ADRB3ADRB1MEN1KMT2AMAPT
SCHEMBL6538626 0.86 ADRB3 (1.00) ADRB3ADRB1ALDH1A1MAPTADRB2

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