SCHEMBL8460802

SCHEMBL8460802

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

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ INPP5A Q14642 2/20 0.78
▸ ITPR3 Q14573 7/20 0.56
▸ ITPR2 Q14571 3/20 0.56
▸ ITPR1 Q14643 3/20 0.56
▸ INPPL1 O15357 1/20 0.50
▸ AKT1 P31749 1/20 0.50
▸ SMPD1 P17405 1/20 0.48

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
SCHEMBL4456065 1.00 INPP5A (0.78) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL9414309 0.94 INPP5A (0.71) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL9414291 0.94 INPP5A (0.71) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL9414301 0.94 INPP5A (0.71) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL9414284 0.94 INPP5A (0.70) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL1403803 0.92 INPP5A (0.67) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL10345151 0.92 INPP5A (0.67) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL10345051 0.92 INPP5A (0.67) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL10344992 0.92 INPP5A (0.67) INPP5AITPR3ITPR2ITPR1INPPL1
SCHEMBL10344783 0.89 INPP5A (1.00) INPP5AITPR3ITPR2ITPR1INPPL1

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-0579957-A1 Preparation of isomers of myoinositol derivatives 3i RESEARCH EXPLOITATION LIMITED (GB) 1994-01-26 — — EP claimed
EP-0354904-A1 INOSITOL PHOSPHATE ANALOGUES 3i RESEARCH EXPLOITATION LIMITED (GB) 1990-02-21 — — EP claimed
WO-1988007047-A1 INOSITOL PHOSPHATE ANALOGUES RESEARCH CORPORATION LIMITED (GB) 1988-09-22 — — WO claimed
US-5866548-A ACTIVATION BY ULTRAVIOLET LIGHT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-02-02 — — US disclosed
EP-0579957-A1 Preparation of isomers of myoinositol derivatives 3i RESEARCH EXPLOITATION LIMITED (GB) 1994-01-26 — — EP disclosed
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