SCHEMBL4731005

SCHEMBL4731005

COc1cccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2O)(c2ccccc2)c2ccccc2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.52
▸ P2RY12 Q9H244 2/20 0.41
▸ P2RY2 P41231 1/20 0.40
▸ P2RY1 P47900 1/20 0.40
▸ P2RY6 Q15077 1/20 0.40

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
SCHEMBL29720432 0.89 TYMP (0.63) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL11040442 0.89 TYMP (0.63) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL22984001 0.89 TYMP (0.58) TYMPP2RY12
SCHEMBL21044306 0.89 TYMP (0.58) TYMPP2RY12
SCHEMBL31556050 0.89 TYMP (0.58) TYMPP2RY12
SCHEMBL3824084 0.89 TYMP (0.58) TYMPP2RY12
SCHEMBL29674530 0.89 TYMP (0.58) TYMPP2RY12
SCHEMBL3824088 0.89 TYMP (0.58) TYMPP2RY12
SCHEMBL29674438 0.89 TYMP (0.58) TYMPP2RY12
SCHEMBL29674456 0.89 TYMP (0.58) TYMPP2RY12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008037568-A2 REVERSIBLE TERMINATORS FOR EFFICIENT SEQUENCING BY SYNTHESIS QUIATECH AB (SE) 2008-04-03 — — WO disclosed
US-4835263-A Novel compounds containing an oligonucleotide sequence bonded to an intercalating agent, a process for their synthesis and their use CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1989-05-30 — — US disclosed
EP-0117777-B1 COMPOUNDS CONTAINING AN OLIGONUCLEOTIDE BONDED TO AN INTERCALLATING AGENT, A PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION Etablissement Public dit: CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1987-12-23 — — EP disclosed
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