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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4642020

CC(C)(CCn1cnc2ccc(OC(=O)O)c(Cl)c21)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 18/20 0.41
▸ ADRB2 P07550 3/20 0.37
▸ ADRB1 P08588 3/20 0.37
▸ NR1I2 O75469 1/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ HPGD P15428 1/20 0.34

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
SCHEMBL4644262 0.97 ADRB3 (0.42) ADRB3ADRB2ADRB1NR1I2ADRA1A
SCHEMBL4639643 0.97 ADRB3 (0.42) ADRB3ADRB2ADRB1NR1I2ADRA1A
Trifluoroacetic Acid SCHEMBL4645763 0.90 ADRB3 (0.39) ADRB3ADRB2ADRB1NR1I2ADRA1A
Trifluoroacetic Acid SCHEMBL4916276 0.90 ADRB3 (0.41) ADRB3ADRB2ADRB1NR1I2ADRA1A
Trifluoroacetic Acid SCHEMBL4639804 0.89 ADRB3 (0.41) ADRB3ADRB2ADRB1NR1I2ADRA1A
Trifluoroacetic Acid SCHEMBL4642328 0.87 ADRB3 (0.41) ADRB3ADRB2ADRB1NR1I2ADRA1A
Trifluoroacetic Acid SCHEMBL4644103 0.86 ADRB3 (0.45) ADRB3ADRB2ADRB1NR1I2ADRA1A
SCHEMBL4642267 0.86 ADRB3 (0.40) ADRB3ADRB2ADRB1NR1I2HPGD
SCHEMBL4644125 0.86 ADRB3 (0.40) ADRB3ADRB2ADRB1NR1I2HPGD
Trifluoroacetic Acid SCHEMBL4646187 0.86 ADRB3 (0.41) ADRB3ADRB2ADRB1NR1I2ADRA1A

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
EP-1943229-A1 BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 — — EP disclosed
WO-2007048842-A1 BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 — — WO disclosed