Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7986775

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1Cl)NC(=O)c1ccc(C(=N)N)cc1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.46
ITGA2B P08514 8/20 0.46
HCRTR2 O43614 5/20 0.34
HCRTR1 O43613 3/20 0.34
NPC1 O15118 1/20 0.34
ADORA1 P30542 1/20 0.34
KMT2A Q03164 1/20 0.33
MC4R P32245 1/20 0.33
MC3R P41968 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
LMNA P02545 1/20 0.32

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 SCHEMBL8133864 0.91 ITGB3 (0.55) ITGB3ITGA2BHCRTR2HCRTR1ADORA1
Trifluoroacetic Acid SCHEMBL7989116 0.89 ITGB3 (0.49) ITGB3ITGA2BHCRTR2HCRTR1ADORA1
SCHEMBL7988424 0.87 ITGB3 (0.57) ITGB3ITGA2BHCRTR2HCRTR1ADORA1
Hydrochloric Acid SCHEMBL7986317 0.87 ITGB3 (0.56) ITGB3ITGA2BHCRTR2HCRTR1ADORA1
Trifluoroacetic Acid SCHEMBL7974814 0.85 ITGB3 (0.48) ITGB3ITGA2BHCRTR2HCRTR1ADORA1
SCHEMBL7987060 0.85 ADORA1 (0.43) NPC1ADORA1KMT2AMC4RMC3R
Trifluoroacetic Acid SCHEMBL7989225 0.85 ITGB3 (0.48) ITGB3ITGA2BHCRTR2HCRTR1NPC1
Trifluoroacetic Acid SCHEMBL7975791 0.84 ITGB3 (0.49) ITGB3ITGA2BHCRTR2HCRTR1ADORA1
Trifluoroacetic Acid SCHEMBL7975354 0.84 ITGB3 (0.49) ITGB3ITGA2BHCRTR2HCRTR1ADORA1
Trifluoroacetic Acid SCHEMBL7986493 0.84 ITGB3 (0.49) ITGB3ITGA2BHCRTR2HCRTR1ADORA1

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