Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7986776

CCOC(=O)Cn1nc2c(c1OC)CN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(=N)N)cc1)CC2.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.59
ITGA2B P08514 8/20 0.59
HCRTR2 O43614 5/20 0.38
CA2 P00918 1/20 0.37
ADORA1 P30542 1/20 0.36
P2RX7 Q99572 1/20 0.36
HCRTR1 O43613 3/20 0.36
P2RY12 Q9H244 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
BACE1 P56817 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
SCHEMBL8138260 0.92 ITGB3 (0.58) ITGB3ITGA2BHCRTR2CA2ADORA1
Trifluoroacetic Acid SCHEMBL7989642 0.86 ITGB3 (0.79) ITGB3ITGA2BHCRTR2CA2ADORA1
Trifluoroacetic Acid SCHEMBL7989366 0.86 ITGB3 (0.61) ITGB3ITGA2BHCRTR2CA2ADORA1
SCHEMBL7985928 0.85 ADORA1 (0.48) ITGB3ITGA2BHCRTR2ADORA1P2RX7
Trifluoroacetic Acid SCHEMBL7975402 0.83 ITGB3 (0.62) ITGB3ITGA2BHCRTR2CA2ADORA1
Trifluoroacetic Acid SCHEMBL7989524 0.82 ITGB3 (0.52) ITGB3ITGA2BHCRTR2CA2ADORA1
SCHEMBL7992197 0.81 ITGB3 (0.63) ITGB3ITGA2BHCRTR2CA2P2RX7
SCHEMBL7962201 0.81 ITGB3 (0.83) ITGB3ITGA2BHCRTR2CA2P2RX7
SCHEMBL7986788 0.81 ITGB3 (0.43) ITGB3ITGA2BHCRTR2CA2ADORA1
Hydrochloric Acid SCHEMBL7986123 0.81 ITGB3 (0.82) ITGB3ITGA2BHCRTR2CA2P2RX7

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