SCHEMBL9218827

SCHEMBL9218827

C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 2/20 0.43
▸ ITPR3 Q14573 3/20 0.35
▸ ITPR2 Q14571 1/20 0.35
▸ ITPR1 Q14643 1/20 0.35
▸ BTN3A1 O00481 2/20 0.33
▸ SMPD1 P17405 1/20 0.32
▸ B4GALT1 P15291 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL30240916 0.85 ITPR3 (0.45) P2RY14ITPR3ITPR2ITPR1SMPD1
SCHEMBL1065994 0.85 ITPR3 (0.45) P2RY14ITPR3ITPR2ITPR1SMPD1
SCHEMBL5523617 0.85 ITPR3 (0.45) P2RY14ITPR3ITPR2ITPR1SMPD1
SCHEMBL23563167 0.85 ITPR3 (0.45) P2RY14ITPR3ITPR2ITPR1SMPD1
SCHEMBL14268493 0.85 ITPR3 (0.45) P2RY14ITPR3ITPR2ITPR1SMPD1
SCHEMBL23563168 0.85 ITPR3 (0.45) P2RY14ITPR3ITPR2ITPR1SMPD1
SCHEMBL9300366 0.85 ITPR3 (0.45) P2RY14ITPR3ITPR2ITPR1SMPD1
SCHEMBL8581971 0.85 ITPR3 (0.45) P2RY14ITPR3ITPR2ITPR1SMPD1
SCHEMBL14437195 0.85 ITPR3 (0.45) P2RY14ITPR3ITPR2ITPR1SMPD1
SCHEMBL8582671 0.85 ITPR3 (0.45) P2RY14ITPR3ITPR2ITPR1SMPD1

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
EP-0650492-A1 REDUCING INFLAMMATION BY TIME DEPENDENT ADMINISTRATION OF OLIGOSACCHARIDES GLYCOSIDES RELATED TO BLOOD GROUP DETERMINANTS ALBERTA RESEARCH COUNCIL (CA) 1995-05-03 — — EP disclosed
EP-0591256-A1 METHODS FOR THE SYNTHESIS OF MONOFUCOSYLATED OLIGOSACCHARIDES TERMINATING IN DI-N-ACETYLLACTOSAMINYL STRUCTURES GLYCOMED INCORPORATED (US) 1994-04-13 — — EP disclosed
WO-1992022662-A1 METHODS FOR THE SYNTHESIS OF MONOFUCOSYLATED OLIGOSACCHARIDES TERMINATING IN DI-N-ACETYLLACTOSAMINYL STRUCTURES ALBERTA RESEARCH COUNCIL (CA) 1992-12-23 — — WO disclosed
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