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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5195663

CCC(CC)Nc1nc(N2CC[C@@H](N(C(N)=O)[C@@H]3CCNC3)C2)nc2c1ncn2[C@@H]1O[C@H](c2nnn(CC)n2)[C@@H](O)[C@H]1O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.45

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.45
▸ ADORA2A P29274 20/20 0.45
▸ ADORA1 P30542 16/20 0.45
▸ ADORA2B P29275 14/20 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 SCHEMBL3907220 0.89 ADORA3 (0.51) ADORA3ADORA2AADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL5199339 0.88 ADORA2A (0.47) ADORA3ADORA2AADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL3905893 0.87 ADORA3 (0.48) ADORA3ADORA2AADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL4922763 0.87 ADORA3 (0.48) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4922775 0.84 ADORA3 (0.44) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL3905898 0.84 ADORA3 (0.44) ADORA3ADORA2AADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL4218003 0.82 ADORA2A (0.59) ADORA3ADORA2AADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL3907325 0.81 ADORA2A (0.56) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL3907329 0.80 ADORA2A (0.52) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL3907222 0.80 ADORA3 (0.44) ADORA3ADORA2AADORA1ADORA2B

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