SCHEMBL28036113

SCHEMBL28036113

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 3/20 0.32
ITPR2 Q14571 1/20 0.31
ITPR1 Q14643 1/20 0.31
FDPS P14324 1/20 0.30
BLM P54132 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4232799 0.98 ITPR3 (0.31) ITPR3ITPR2ITPR1
SCHEMBL2552260 0.98 ITPR3 (0.31) ITPR3ITPR2ITPR1
SCHEMBL27475612 0.93 ITPR3 (0.35) ITPR3ITPR2ITPR1FDPSBLM
SCHEMBL6710152 0.89 ITPR3 (0.33) ITPR3ITPR2ITPR1FDPSBLM
SCHEMBL29022797 0.88 ITPR3 (0.34) ITPR3ITPR2ITPR1
SCHEMBL134178 0.86 ITPR3 (0.37) ITPR3ITPR2ITPR1FDPSBLM
SCHEMBL544344 0.86 ITPR3 (0.37) ITPR3ITPR2ITPR1FDPSBLM
SCHEMBL136588 0.86 ITPR3 (0.37) ITPR3ITPR2ITPR1FDPSBLM
SCHEMBL406797 0.86 ITPR3 (0.37) ITPR3ITPR2ITPR1FDPSBLM
SCHEMBL12475062 0.86 ITPR3 (0.37) ITPR3ITPR2ITPR1FDPSBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105026375-A SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC 2015-11-04 CN disclosed