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Sugi Predict / Compounds / SCHEMBL2552260

SCHEMBL2552260

SCHEMBL2552260

O=P(O)(O)OP(=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 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITPR3 Q14573 2/20 0.31
▸ ITPR2 Q14571 1/20 0.31
▸ ITPR1 Q14643 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
SCHEMBL4232799 1.00 ITPR3 (0.31) ITPR3ITPR2ITPR1
SCHEMBL28036113 0.98 ITPR3 (0.32) ITPR3ITPR2ITPR1
SCHEMBL27475612 0.91 ITPR3 (0.35) ITPR3ITPR2ITPR1
SCHEMBL29022797 0.90 ITPR3 (0.34) ITPR3ITPR2ITPR1
SCHEMBL6710152 0.88 ITPR3 (0.33) ITPR3ITPR2ITPR1
SCHEMBL136588 0.88 ITPR3 (0.37) ITPR3ITPR2ITPR1
SCHEMBL406797 0.88 ITPR3 (0.37) ITPR3ITPR2ITPR1
SCHEMBL544344 0.88 ITPR3 (0.37) ITPR3ITPR2ITPR1
SCHEMBL12475062 0.88 ITPR3 (0.37) ITPR3ITPR2ITPR1
SCHEMBL134178 0.88 ITPR3 (0.37) ITPR3ITPR2ITPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020219323-A1 REDUCTION OF TOOTH STAINING DERIVED FROM CATIONIC ANTIMICROBIALS THE PROCTER & GAMBLE COMPANY (US) 2020-10-29 — — WO disclosed
WO-2011123601-A2 WHOLE MOUTH MALODOR CONTROL BY A COMBINATION OF ANTIBACTERIAL AND DEODORIZING AGENTS THE PROCTER & GAMBLE COMPANY (US) 2011-10-06 — — WO disclosed