Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7974839

CCOC(=O)Cc1cc2c(n1C(=O)OCc1ccccc1)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 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.51
ITGA2B P08514 5/20 0.51
P2RX7 Q99572 4/20 0.41
HCRTR2 O43614 5/20 0.41
HPN P05981 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
KMT2A Q03164 1/20 0.40
HCRTR1 O43613 3/20 0.39
PLG P00747 1/20 0.36
P2RY12 Q9H244 1/20 0.36
ADORA1 P30542 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
SCHEMBL7987546 0.87 ADORA1 (0.47) P2RX7HCRTR2KMT2AADORA1
SCHEMBL7989512 0.84 ITGB3 (0.38) ITGB3ITGA2BP2RX7HCRTR2KMT2A
Trifluoroacetic Acid SCHEMBL7985751 0.82 ITGB3 (0.54) ITGB3ITGA2BP2RX7HCRTR2HPN
Trifluoroacetic Acid SCHEMBL8133864 0.82 ITGB3 (0.55) ITGB3ITGA2BP2RX7HCRTR2KMT2A
Trifluoroacetic Acid SCHEMBL7989366 0.81 ITGB3 (0.61) ITGB3ITGA2BP2RX7HCRTR2KMT2A
Trifluoroacetic Acid SCHEMBL7975402 0.81 ITGB3 (0.62) ITGB3ITGA2BP2RX7HCRTR2KMT2A
Trifluoroacetic Acid SCHEMBL7989524 0.79 ITGB3 (0.52) ITGB3ITGA2BP2RX7HCRTR2KMT2A
Trifluoroacetic Acid SCHEMBL7989642 0.79 ITGB3 (0.79) ITGB3ITGA2BP2RX7HCRTR2KMT2A
Trifluoroacetic Acid SCHEMBL7989116 0.79 ITGB3 (0.49) ITGB3ITGA2BHCRTR2HPNST14
SCHEMBL7975361 0.78 ITGB3 (0.57) ITGB3ITGA2BP2RX7HCRTR2HPN

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