SCHEMBL9577691

SCHEMBL9577691

O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H](O)[C@@H](O)[C@H](O)CO

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PGD P52209 2/20 0.37
MPI P34949 1/20 0.37
BTN3A1 O00481 3/20 0.37

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
SCHEMBL1160489 0.97 LMNA (0.38) PGDMPIBTN3A1
SCHEMBL891922 0.96 PGD (0.39) PGDMPIBTN3A1
SCHEMBL5454027 0.93 LMNA (0.41) PGDMPIBTN3A1
Phytate SCHEMBL9580721 0.91 ITPR3 (0.33) BTN3A1
SCHEMBL9577589 0.89 PGD (0.39) PGDMPIBTN3A1
SCHEMBL3745928 0.89 PGD (0.39) PGDMPIBTN3A1
SCHEMBL3744513 0.85 PGD (0.41) PGDMPIBTN3A1
SCHEMBL5525102 0.84 PGD (0.48) PGDMPI
SCHEMBL18486449 0.82 PGD (0.41) PGDMPIBTN3A1
SCHEMBL630930 0.81 PGD (0.53) PGDMPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993023054-A1 POLYPHOSPHORYLATED ORGANIC COMPOUNDS: COMPOSITIONS USEFUL IN PROTECTING BIOLOGICAL TISSUES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-11-25 WO claimed
US-5260287-A Phosphorylated alcohols and polyvalent cations used as antiulcer agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 1993-11-09 US claimed
WO-1993023054-A1 POLYPHOSPHORYLATED ORGANIC COMPOUNDS: COMPOSITIONS USEFUL IN PROTECTING BIOLOGICAL TISSUES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-11-25 WO disclosed
US-5260287-A Phosphorylated alcohols and polyvalent cations used as antiulcer agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 1993-11-09 US disclosed