SCHEMBL5014242

SCHEMBL5014242

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 3/20 0.36
BTN3A1 O00481 2/20 0.33
ITPR2 Q14571 1/20 0.32
ITPR1 Q14643 1/20 0.32
P2RY2 P41231 1/20 0.31
P2RY4 P51582 1/20 0.31
FDPS P14324 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL29027322 1.00 ITPR3 (0.36) ITPR3BTN3A1ITPR2ITPR1P2RY2
SCHEMBL29027317 1.00 ITPR3 (0.36) ITPR3BTN3A1ITPR2ITPR1P2RY2
SCHEMBL29027320 1.00 ITPR3 (0.36) ITPR3BTN3A1ITPR2ITPR1P2RY2
SCHEMBL406797 0.98 ITPR3 (0.37) ITPR3BTN3A1ITPR2ITPR1P2RY2
SCHEMBL12475062 0.98 ITPR3 (0.37) ITPR3BTN3A1ITPR2ITPR1P2RY2
SCHEMBL136588 0.98 ITPR3 (0.37) ITPR3BTN3A1ITPR2ITPR1P2RY2
SCHEMBL134178 0.98 ITPR3 (0.37) ITPR3BTN3A1ITPR2ITPR1P2RY2
SCHEMBL544344 0.98 ITPR3 (0.37) ITPR3BTN3A1ITPR2ITPR1P2RY2
SCHEMBL23211993 0.96 ITPR3 (0.36) ITPR3BTN3A1ITPR2ITPR1P2RY2
SCHEMBL5014239 0.96 ITPR3 (0.36) ITPR3BTN3A1ITPR2ITPR1P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998786-A2 REDUCTION OF THE TITRATABLE ACIDITY AND THE PREVENTION OF TOOTH AND OTHER BONE DEGENERATION IP-6 Research, Inc. (US) 2008-12-10 EP claimed
WO-2007103110-A2 REDUCTION OF THE TITRATABLE ACIDITY AND THE PREVENTION OF TOOTH AND OTHER BONE DEGENERATION IP-6 RESEARCH INC. (US) 2007-09-13 WO claimed
US-20070212449-A1 Reduction of the titratable acidity and the prevention of tooth and other bone degeneration IP-6 RESEARCH INC. 2007-09-13 US claimed
JP-58191196-A None JP disclosed
CN-114459862-A High-identification fungus fluorescent staining solution 华腾实业(深圳)股份有限公司 2022-05-10 CN disclosed
EP-1998786-A2 REDUCTION OF THE TITRATABLE ACIDITY AND THE PREVENTION OF TOOTH AND OTHER BONE DEGENERATION IP-6 Research, Inc. (US) 2008-12-10 EP disclosed
WO-2007103110-A2 REDUCTION OF THE TITRATABLE ACIDITY AND THE PREVENTION OF TOOTH AND OTHER BONE DEGENERATION IP-6 RESEARCH INC. (US) 2007-09-13 WO disclosed
US-20070212449-A1 Reduction of the titratable acidity and the prevention of tooth and other bone degeneration IP-6 RESEARCH INC. 2007-09-13 US disclosed
JP-S58191196-A DESENSITIZING LIQUID TOMOEGAWA PAPER CO LTD 1983-11-08 JP disclosed