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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8319835

O=C(O)C(F)(F)F.O=C(O)COc1ccc(C(=O)CN2C(=O)CN(C3CCNCC3)CC2=O)cc1Cc1ncc[nH]1

nearest known ligand 0.37

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.37
▸ ITGA2B P08514 4/20 0.37
▸ ITGA2 P17301 2/20 0.33
▸ PDE4B Q07343 1/20 0.30
▸ TOP2A P11388 1/20 0.30
▸ TOP2B Q02880 1/20 0.30
▸ ITGAV P06756 1/20 0.30

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
SCHEMBL8317905 0.95 ITGB3 (0.38) ITGB3ITGA2BPDE4BTOP2ATOP2B
Trifluoroacetic Acid SCHEMBL8317333 0.91 ITGB3 (0.36) ITGB3ITGA2BITGA2
SCHEMBL8316433 0.86 ITGB3 (0.37) ITGB3ITGA2BPDE4BITGAV
SCHEMBL8318295 0.85 PDE4D (0.36) PDE4BTOP2A
Trifluoroacetic Acid SCHEMBL8319827 0.83 TBXAS1 (0.43) ITGB3ITGA2BITGA2
SCHEMBL8317871 0.78 TBXAS1 (0.47) ITGB3ITGA2B
SCHEMBL8319280 0.77 PDE4D (0.36) PDE4B
Trifluoroacetic Acid SCHEMBL9029743 0.75 ITGB3 (0.48) ITGB3ITGA2BITGA2PDE4B
Trifluoroacetic Acid SCHEMBL8317327 0.74 TBXAS1 (0.42) ITGB3ITGA2BITGA2
SCHEMBL8319830 0.73 TBXAS1 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 — — EP disclosed