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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3901149

CCc1cc([C@H]2O[C@@H](n3cnc4c(NCc5cccc6ccccc56)nc(N5CCC(NC(=O)N[C@@H]6CCNC6)C5)nc43)[C@@H](O)[C@H]2O)on1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.42
▸ ADORA3 P0DMS8 4/20 0.38
▸ NT5E P21589 1/20 0.37
▸ ADORA1 P30542 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
Trifluoroacetic Acid SCHEMBL3907113 1.00 ADORA2A (0.42) ADORA2AADORA3NT5EADORA1
Trifluoroacetic Acid SCHEMBL4225820 0.90 ADORA2A (0.48) ADORA2AADORA3ADORA1
Trifluoroacetic Acid SCHEMBL3902098 0.89 ADORA2A (0.39) ADORA2AADORA3ADORA1
Trifluoroacetic Acid SCHEMBL4401841 0.89 ADORA2A (0.39) ADORA2AADORA3ADORA1
Trifluoroacetic Acid SCHEMBL4220530 0.88 ADORA1 (0.43) ADORA2AADORA3ADORA1
SCHEMBL3907117 0.88 ADORA2A (0.39) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL3914598 0.87 ADORA3 (0.49) ADORA2AADORA3ADORA1
Trifluoroacetic Acid SCHEMBL3978976 0.87 ADORA2A (0.43) ADORA2AADORA3NT5EADORA1
Trifluoroacetic Acid SCHEMBL4221263 0.87 ADORA2A (0.43) ADORA2AADORA3ADORA1
SCHEMBL10156406 0.85 ADORA3 (0.43) ADORA2AADORA3ADORA1

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