Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7975402

CCOC(=O)Cn1cc2c(c1)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 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.62
ITGA2B P08514 7/20 0.62
KMT2A Q03164 1/20 0.42
HCRTR2 O43614 5/20 0.42
CA2 P00918 1/20 0.40
HCRTR1 O43613 3/20 0.39
P2RX7 Q99572 1/20 0.38
LMNA P02545 1/20 0.37
ADORA1 P30542 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL7986489 0.96 ITGB3 (0.64) ITGB3ITGA2BKMT2AHCRTR2CA2
Trifluoroacetic Acid SCHEMBL7989642 0.88 ITGB3 (0.79) ITGB3ITGA2BKMT2AHCRTR2CA2
Trifluoroacetic Acid SCHEMBL7989366 0.87 ITGB3 (0.61) ITGB3ITGA2BKMT2AHCRTR2CA2
Trifluoroacetic Acid SCHEMBL8133864 0.85 ITGB3 (0.55) ITGB3ITGA2BKMT2AHCRTR2CA2
SCHEMBL7985147 0.83 ADORA1 (0.48) ITGB3ITGA2BKMT2AHCRTR2P2RX7
SCHEMBL7962201 0.83 ITGB3 (0.83) ITGB3ITGA2BKMT2AHCRTR2CA2
Trifluoroacetic Acid SCHEMBL7986776 0.83 ITGB3 (0.59) ITGB3ITGA2BKMT2AHCRTR2CA2
Hydrochloric Acid SCHEMBL7986123 0.83 ITGB3 (0.82) ITGB3ITGA2BKMT2AHCRTR2CA2
Trifluoroacetic Acid SCHEMBL7989524 0.83 ITGB3 (0.52) ITGB3ITGA2BKMT2AHCRTR2CA2
SCHEMBL7992197 0.82 ITGB3 (0.63) ITGB3ITGA2BKMT2AHCRTR2CA2

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