Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6539367

COc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.92
ADRB1 P08588 14/20 0.92
ADRB2 P07550 2/20 0.52
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6539731 0.96 ADRB3 (1.00) ADRB3ADRB1ADRB2MEN1NPC1
Trifluoroacetic Acid SCHEMBL6538659 0.92 ADRB3 (0.77) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6538586 0.91 ADRB3 (0.81) ADRB3ADRB1ADRB2MEN1NPC1
Trifluoroacetic Acid SCHEMBL6538900 0.91 ADRB3 (0.78) ADRB3ADRB1ADRB2MEN1NPC1
Trifluoroacetic Acid SCHEMBL6539325 0.90 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1MAPT
Trifluoroacetic Acid SCHEMBL6539346 0.90 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1NPC1
Trifluoroacetic Acid SCHEMBL6538530 0.90 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1NPC1
Trifluoroacetic Acid SCHEMBL6538892 0.90 ADRB3 (0.79) ADRB3ADRB1ADRB2MAPT
Trifluoroacetic Acid SCHEMBL6539537 0.89 ADRB3 (0.81) ADRB3ADRB1ADRB2MEN1MAPT
Trifluoroacetic Acid SCHEMBL6539442 0.89 ADRB3 (0.72) 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