Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3899320

N#Cc1cccc(OC[C@@H](CC(=O)O)NC(=O)c2ccc(NC(=N)N)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.60
PIN1 Q13526 1/20 0.45
TMPRSS15 P98073 2/20 0.40
F9 P00740 1/20 0.39
KLK1 P06870 2/20 0.38
KLK5 Q9Y337 2/20 0.38
SLC2A1 P11166 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MLYCD O95822 1/20 0.37
GPR34 Q9UPC5 1/20 0.36
MME P08473 1/20 0.36
PPARG P37231 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
Trifluoroacetic Acid SCHEMBL3906197 0.90 F10 (0.75) F10TMPRSS15KLK1KLK5ITGB3
SCHEMBL3899328 0.89 F10 (0.49) F10PIN1MLYCD
Trifluoroacetic Acid SCHEMBL3900234 0.86 F10 (0.56) F10PIN1TMPRSS15ITGB3GPR34
Trifluoroacetic Acid SCHEMBL3900237 0.86 F10 (0.56) F10PIN1TMPRSS15ITGB3GPR34
SCHEMBL14132186 0.84 F10 (0.84) F10ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3912179 0.83 F10 (0.51) F10PIN1SLC2A1
Trifluoroacetic Acid SCHEMBL3912178 0.83 F10 (0.51) F10PIN1SLC2A1
SCHEMBL3901279 0.83 F10 (0.65) F10PIN1GPR34MME
SCHEMBL3895734 0.83 F10 (0.65) F10PIN1GPR34MME
Trifluoroacetic Acid SCHEMBL3897204 0.82 F10 (0.88) F10TMPRSS15ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed