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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5199339

CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccc(OC)cc5)c5ccc(OC)cc5)nc(N5CC[C@@H](N(C(N)=O)[C@@H]6CCNC6)C5)nc43)[C@H](O)[C@@H]2O)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 20/20 0.47
▸ ADORA3 P0DMS8 18/20 0.47
▸ ADORA1 P30542 13/20 0.47
▸ ADORA2B P29275 13/20 0.47

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 SCHEMBL4220391 0.90 ADORA3 (0.51) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL5195663 0.88 ADORA3 (0.45) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL5197133 0.88 ADORA2A (0.43) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL4225864 0.88 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4225871 0.87 ADORA3 (0.44) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL4228175 0.85 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4220393 0.83 ADORA3 (0.43) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL3916265 0.83 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4220401 0.83 ADORA2A (0.43) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL2811301 0.83 ADORA2A (0.54) ADORA2AADORA3ADORA1ADORA2B

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-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 — — EP claimed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 — — WO claimed