Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7329664

Cc1cc(OCCCc2ccc3c(c2)C(=O)N(C(C)CC(=O)O)CC(=O)N3Cc2ccccc2)nc(N)n1.O=C(O)C(F)(F)F

nearest known ligand 0.35

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.35
ITGA2B P08514 6/20 0.35
PTGDR2 Q9Y5Y4 7/20 0.34
EDNRB P24530 6/20 0.33
EDNRA P25101 6/20 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
SCHEMBL7329669 0.92 PTGDR2 (0.32) ITGB3ITGA2BPTGDR2EDNRBEDNRA
Trifluoroacetic Acid SCHEMBL7332854 0.92 MEN1 (0.36) ITGB3ITGA2BPTGDR2EDNRBEDNRA
Trifluoroacetic Acid SCHEMBL7332347 0.90 ITGB3 (0.36) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7333191 0.90 ITGB3 (0.45) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7334476 0.89 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7332859 0.86 EDNRB (0.32) PTGDR2EDNRBEDNRA
Trifluoroacetic Acid SCHEMBL7324076 0.85 MDM2 (0.34)
Trifluoroacetic Acid SCHEMBL9009478 0.84 PTGDR2 (0.36) ITGB3ITGA2BPTGDR2
Trifluoroacetic Acid SCHEMBL7334590 0.83 MEN1 (0.36) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7328309 0.83 MEN1 (0.37) ITGB3ITGA2BPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed