Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3040708

N=C(N)c1ccc(C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.50

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.50
ITGA2B P08514 7/20 0.50
PTPN1 P18031 4/20 0.48
PTPN2 P17706 1/20 0.48
PTPRA P18433 1/20 0.48
PTPN6 P29350 1/20 0.48
PTPN11 Q06124 1/20 0.48
F2 P00734 4/20 0.47
TMPRSS6 Q8IU80 4/20 0.47
ACE P12821 4/20 0.45
ECE1 P42892 1/20 0.45
PRSS1 P07477 1/20 0.44
TMPRSS15 P98073 1/20 0.44

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
SCHEMBL7299599 0.95 ITGB3 (0.51) ITGB3ITGA2BPTPN1PTPN2PTPRA
SCHEMBL9742835 0.95 ITGB3 (0.51) ITGB3ITGA2BPTPN1PTPN2PTPRA
Trifluoroacetic Acid SCHEMBL9222086 0.93 NPY4R (0.48) ITGB3ITGA2BPTPN1PTPN2PTPRA
SCHEMBL7303040 0.89 ITGB3 (0.55) ITGB3ITGA2BPTPN1
SCHEMBL13744704 0.88 ITGB3 (0.48) ITGB3ITGA2BPTPN1PRSS1TMPRSS15
SCHEMBL7306757 0.88 PRSS1 (0.50) ITGB3ITGA2BPTPN1PTPN2PTPRA
SCHEMBL7298590 0.88 PRSS1 (0.47) ITGB3ITGA2BPTPN1PTPN2PTPRA
SCHEMBL13716655 0.87 ITGB3 (0.46) ITGB3ITGA2BPTPN1PTPN2PTPRA
SCHEMBL7304862 0.86 ITGB3 (0.51) ITGB3ITGA2BPTPN1PTPN2PTPRA
SCHEMBL13716830 0.86 L3MBTL1 (0.56) ITGB3ITGA2BPTPN1PRSS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US claimed
US-20100041587-A1 COMBINATION THERAPY FOR INHIBITION OF PLATELET AGGREGATION PORTER R STEPHEN 2010-02-18 US disclosed
US-20070082840-A1 Combination therapy for inhibition of platelet aggregation VDDI PHARMACEUTICALS 2007-04-12 US disclosed