Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7975186

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(=N)N)cc1Cl)C2.O=C(O)C(F)(F)F

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.66
ITGA2B P08514 7/20 0.66
BACE1 P56817 1/20 0.35
HCRTR2 O43614 5/20 0.35
HCRTR1 O43613 3/20 0.35
NPC1 O15118 1/20 0.34
CCR3 P51677 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
P2RX7 Q99572 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7986245 0.96 ITGB3 (0.69) ITGB3ITGA2BBACE1HCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL7993134 0.95 ITGB3 (0.68) ITGB3ITGA2BHCRTR2HCRTR1CCR3
Trifluoroacetic Acid SCHEMBL7993427 0.94 ITGB3 (0.67) ITGB3ITGA2BHCRTR2HCRTR1CCR3
Trifluoroacetic Acid SCHEMBL7986769 0.92 ITGB3 (0.65) ITGB3ITGA2BBACE1HCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL7989642 0.92 ITGB3 (0.79) ITGB3ITGA2BHCRTR2HCRTR1NPC1
SCHEMBL7989513 0.91 ITGB3 (0.71) ITGB3ITGA2BHCRTR2HCRTR1CCR3
SCHEMBL7988872 0.90 ITGB3 (0.61) ITGB3ITGA2BBACE1HCRTR2HCRTR1
SCHEMBL7989233 0.90 ITGB3 (0.69) ITGB3ITGA2BHCRTR2HCRTR1CCR3
Trifluoroacetic Acid SCHEMBL7985744 0.89 ITGB3 (0.67) ITGB3ITGA2BHCRTR2HCRTR1CCR3
SCHEMBL7992757 0.89 ITGB3 (0.68) ITGB3ITGA2BBACE1HCRTR2HCRTR1

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed