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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL299638

CC(C(N)=O)[C@@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N4CC[C@@H](N)C4)nc32)[C@H](O)[C@@H]1O.CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N4CC[C@@H](NC(=O)Nc5ccc(Oc6ccccc6)cc5)C4)nc32)[C@H](O)[C@@H]1O.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 17/20 0.44
▸ ADORA3 P0DMS8 6/20 0.44
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34

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 SCHEMBL240147 0.92 ADORA2A (0.51) ADORA2AADORA3CA12CA1CA2
Trifluoroacetic Acid SCHEMBL242367 0.88 ADORA2A (0.50) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL242219 0.88 ADORA2A (0.51) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL241154 0.86 ADORA2A (0.52) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL255248 0.85 ADORA2A (0.52) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL2887186 0.85 ADORA2A (0.58) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL240148 0.85 ADORA2A (0.45) ADORA2AADORA3CA12CA1CA2
Trifluoroacetic Acid SCHEMBL240202 0.85 ADORA2A (0.51) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL242809 0.84 ADORA2A (0.51) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL241295 0.84 ADORA2A (0.51) ADORA2AADORA3

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-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 — — EP disclosed