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SCHEMBL8535802

SCHEMBL8535802

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N=CN(C)C)ncnc43)[C@H](OS(C)(=O)=O)[C@@H]2OS(C)(=O)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 12/20 0.49
▸ ADORA1 P30542 3/20 0.39
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ SLC29A1 Q99808 2/20 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
SCHEMBL8539889 0.98 TYMP (0.47) TYMPADORA1ADORA2AADORA2B
SCHEMBL8540427 0.86 TYMP (0.64) TYMPADORA1SLC29A1
SCHEMBL8540429 0.86 TYMP (0.64) TYMPADORA1SLC29A1
SCHEMBL8535946 0.86 TYMP (0.56) TYMPADORA1
SCHEMBL13715725 0.82 TYMP (0.51) TYMPADORA1SLC29A1
SCHEMBL6009420 0.82 TYMP (0.51) TYMPADORA1SLC29A1
SCHEMBL3915469 0.80 TYMP (0.41) TYMPADORA1
SCHEMBL13715922 0.80 TYMP (0.41) TYMPADORA1
SCHEMBL8535442 0.80 TYMP (0.43) TYMPADORA1ADORA2AADORA2B
SCHEMBL8352686 0.80 TYMP (0.54) TYMPADORA1

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-0682670-B1 DEOXYGENATION OF CIS VICINAL DIOLS RAYLO CHEMICALS INC (CA) 1998-05-06 — — EP claimed
US-5410033-A Deoxygenation of cis vicinal diols to make didehydro dideoxy nucleosidies and synthetic intermediates TEROCHEM LABORATORIES LIMITED (CA) 1995-04-25 — — US disclosed