SCHEMBL9439604

SCHEMBL9439604

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 8/20 1.00
ITPR2 Q14571 4/20 0.89
ITPR1 Q14643 4/20 0.89
INPP5A Q14642 2/20 0.84
INPPL1 O15357 1/20 0.84
AKT1 P31749 1/20 0.84
SMPD1 P17405 1/20 0.74

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
SCHEMBL8440404 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL12686382 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL1342025 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL513820 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL9439428 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL544343 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
SCHEMBL356762 1.00 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
Atrinositol SCHEMBL9022890 0.97 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
Atrinositol SCHEMBL180074 0.97 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1
Atrinositol SCHEMBL888326 0.97 ITPR3 (1.00) ITPR3ITPR2ITPR1INPP5AINPPL1

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-2025132829-A1 BACTERIUM COMPRISING PHYTATE-DEGRADATION PATHWAY Stichting Amsterdam UMC (NL) 2025-06-26 WO disclosed
US-12130296-B2 Method for the direct detection and/or quantification of at least one compound with a molecular weight of at least 200 Sanifit Therapeutics S.A. (ES) 2024-10-29 US disclosed
US-20220187326-A1 Method for the Direct Detection and/or Quantification of at Least One Compound with a Molecular Weight of at Least 200 VIFOR (INTERNATIONAL) LTD. (CH) 2022-06-16 US disclosed
US-5334673-A From a thermosetting composition cured with a slow-reacting polyamine ACUSHNET CO. (US) 1994-08-02 US disclosed