Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8924050

N#CCCn1nnnc1[C@@H](N)Cc1ccc(-c2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.51
NAALAD2 Q9Y3Q0 2/20 0.43
GAA P10253 1/20 0.39
CTSK P43235 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CTSH P09668 1/20 0.39
CYP2D6 P10635 1/20 0.39
CTSC P53634 1/20 0.39
CTSS P25774 1/20 0.37
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL3703214 0.92 GHSR (0.46) GHSRNAALAD2CTSKCYP1A2CYP3A4
SCHEMBL3703216 0.92 GHSR (0.46) GHSRNAALAD2CTSKCYP1A2CYP3A4
SCHEMBL3707997 0.92 GHSR (0.46) GHSRNAALAD2CTSKCYP1A2CYP3A4
SCHEMBL7541164 0.78 CNR2 (0.43) GAA
Hydrochloric Acid SCHEMBL3498268 0.77 MAOB (0.50) GHSR
SCHEMBL8920614 0.76 GHSR (0.58) GHSRNAALAD2CTSKCTSS
SCHEMBL8921747 0.76 GHSR (0.58) GHSRNAALAD2CTSKCTSS
SCHEMBL8932445 0.74 GHSR (0.42) GHSRNAALAD2
SCHEMBL7962305 0.72 GHSR (0.38) GHSRNAALAD2CYP1A2CYP2D6CTSC
SCHEMBL7962303 0.72 GHSR (0.38) GHSRNAALAD2CYP1A2CYP2D6CTSC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO disclosed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
EP-0660840-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES. CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
WO-1994005677-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 WO disclosed
US-5273990-A 5-Phosphonomethyleneamino aryl-substitued alkylene-1H-tetazoles CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed