Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7986792

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

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.55
ITGA2B P08514 8/20 0.55
HCRTR2 O43614 5/20 0.40
CA2 P00918 1/20 0.39
KMT2A Q03164 2/20 0.38
HCRTR1 O43613 3/20 0.37
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 1/20 0.35
BACE1 P56817 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
WDR5 P61964 1/20 0.35

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 0.92 ITGB3 (0.55) ITGB3ITGA2BHCRTR2CA2KMT2A
Trifluoroacetic Acid SCHEMBL7975755 0.91 ITGB3 (0.61) ITGB3ITGA2BHCRTR2CA2KMT2A
SCHEMBL7988424 0.88 ITGB3 (0.57) ITGB3ITGA2BHCRTR2CA2KMT2A
SCHEMBL7989510 0.88 ITGB3 (0.65) ITGB3ITGA2BHCRTR2CA2KMT2A
Hydrochloric Acid SCHEMBL7986317 0.88 ITGB3 (0.56) ITGB3ITGA2BHCRTR2CA2KMT2A
Trifluoroacetic Acid SCHEMBL7989116 0.86 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL7989225 0.85 ITGB3 (0.48) ITGB3ITGA2BHCRTR2CA2KMT2A
Trifluoroacetic Acid SCHEMBL7986775 0.84 ITGB3 (0.46) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL7975354 0.83 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL7986493 0.83 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AHCRTR1

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