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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3905281

CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CCC(NC(=O)Nc6cccnc6)C5)nc43)C(O)C2O)n1.O=C(O)C(F)(F)F

nearest known ligand 0.46

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 20/20 0.46
▸ ADORA3 P0DMS8 16/20 0.45
▸ ADORA2B P29275 15/20 0.45
▸ ADORA1 P30542 15/20 0.45

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
Trifluoroacetic Acid SCHEMBL4225584 1.00 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2807483 0.97 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2807488 0.97 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9988629 0.97 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
SCHEMBL12049783 0.97 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2804880 0.93 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1
SCHEMBL12049799 0.93 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2804888 0.93 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2804884 0.93 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1
SCHEMBL11968320 0.92 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1

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
EP-2018381-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 — — EP disclosed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 — — WO disclosed