SCHEMBL7264129

SCHEMBL7264129

COc1ccc(C(OC[C@@H]2O[C@H](n3cc(I)c(=O)[nH]c3=O)C(O)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.62
PYGM P11217 1/20 0.53
P2RY6 Q15077 8/20 0.52
P2RY14 Q15391 3/20 0.52
P2RY2 P41231 1/20 0.46

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
SCHEMBL8197884 1.00 TYMP (0.62) TYMPPYGMP2RY6P2RY14P2RY2
SCHEMBL21552211 0.92 TYMP (0.53) TYMPPYGMP2RY6P2RY14P2RY2
SCHEMBL21552269 0.92 TYMP (0.53) TYMPPYGMP2RY6P2RY14P2RY2
SCHEMBL21552268 0.92 TYMP (0.53) TYMPPYGMP2RY6P2RY14P2RY2
SCHEMBL21552210 0.92 TYMP (0.53) TYMPPYGMP2RY6P2RY14P2RY2
SCHEMBL13714472 0.90 TYMP (0.62) TYMPP2RY6P2RY14
SCHEMBL3069438 0.90 TYMP (0.62) TYMPP2RY6P2RY14
SCHEMBL13205014 0.90 TYMP (0.62) TYMPP2RY6P2RY14
SCHEMBL15974161 0.90 TYMP (0.62) TYMPP2RY6P2RY14
SCHEMBL9710318 0.90 TYMP (0.62) TYMPP2RY6P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042345-B1 COMPOUNDS FOR MASS SPECTROMETRY COMPRISING NUCLEIC ACID BASES AND ARYL ETHER MASS MARKERS XZILLION GMBH & CO KG (DE) 2003-04-16 EP disclosed
EP-1095053-B1 ARYLSULFONE LINKERS FOR MASS SPECTROMETRIC ANALYSIS XZILLION GMBH & CO KG (DE) 2002-12-11 EP disclosed
US-6287780-B1 Compounds for mass spectrometry comprising nucleic acid bases and aryl ether mass markers BRAX GROUP LIMITED (GB) 2001-09-11 US disclosed
EP-1095053-A1 ARYLSULFONE LINKERS FOR MASS SPECTROMETRIC ANALYSIS Brax Group Limited (GB) 2001-05-02 EP disclosed
WO-2000002895-A1 ARYLSULFONE LINKERS FOR MASS SPECTROMETRIC ANALYSIS BRAX GROUP LIMITED (GB) 2000-01-20 WO disclosed