Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6538530

O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc(Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.76
ADRB1 P08588 16/20 0.76
ADRB2 P07550 3/20 0.52
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 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
Trifluoroacetic Acid SCHEMBL6538900 0.91 ADRB3 (0.78) ADRB3ADRB1ADRB2MEN1NPC1
Trifluoroacetic Acid SCHEMBL6539346 0.90 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1NPC1
Trifluoroacetic Acid SCHEMBL6539325 0.90 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1LMNA
Trifluoroacetic Acid SCHEMBL6539367 0.90 ADRB3 (0.92) ADRB3ADRB1ADRB2MEN1NPC1
Trifluoroacetic Acid SCHEMBL6538659 0.90 ADRB3 (0.77) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6538586 0.89 ADRB3 (0.81) ADRB3ADRB1ADRB2MEN1NPC1
Trifluoroacetic Acid SCHEMBL6538547 0.88 ADRB3 (0.74) ADRB3ADRB1ADRB2MEN1NPC1
Trifluoroacetic Acid SCHEMBL6539240 0.88 ADRB3 (0.71) ADRB3ADRB1
Trifluoroacetic Acid SCHEMBL6539537 0.88 ADRB3 (0.81) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL6538626 0.87 ADRB3 (1.00) 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
WO-2002024635-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-28 WO disclosed