SCHEMBL5850409

SCHEMBL5850409

O=P(O)(OC1CC1)OC1CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
INPP5A Q14642 3/20 0.44
ACHE P22303 1/20 0.34
SMPD1 P17405 1/20 0.33
ITPR3 Q14573 7/20 0.32
ITPR2 Q14571 3/20 0.32
ITPR1 Q14643 3/20 0.32
INPPL1 O15357 1/20 0.31
AKT1 P31749 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
SCHEMBL5850657 0.88 ACHE (0.41) INPP5AACHESMPD1FDPS
SCHEMBL2150226 0.88 ACHE (0.46) INPP5AACHEFDPS
SCHEMBL9484912 0.87 INPP5A (0.38) INPP5AACHE
SCHEMBL15105606 0.86 ACHE (0.50) INPP5AACHEFDPS
SCHEMBL18486452 0.86 ACHE (0.50) INPP5AACHEFDPS
SCHEMBL270557 0.86 ACHE (0.50) INPP5AACHEFDPS
SCHEMBL9484274 0.82 CYP19A1 (0.37) INPP5AACHE
SCHEMBL2238965 0.81
SCHEMBL9485332 0.78 ALDH1A1 (0.36) INPP5A
SCHEMBL6835509 0.78 ACHE (0.43) INPP5AACHEFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170941-A Preparation method of 1-cyclopropyl-6, 7-difluoro-8-methoxy fluoroquinolone-3-carboxylic ester 江西农业大学 2020-05-19 CN claimed
CN-111170941-A Preparation method of 1-cyclopropyl-6, 7-difluoro-8-methoxy fluoroquinolone-3-carboxylic ester 江西农业大学 2020-05-19 CN disclosed
US-10439252-B2 Electrolyte solution for electrochemical device, and electrochemical device FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-08 US disclosed
US-20150364792-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICE, AND ELECTROCHEMICAL DEVICE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-17 US disclosed
US-7153901-B2 Low viscosity flame retardants are the reaction product of a mixed ester of tetrabromophthalic acid with diethylene glycol and propylene glycol with an acid anhydride, organic phosphate, or organic chlorophosphate; minimizing visible scorching of the flexible polyurethane foam during its production ALBEMARLE CORPORATION (US) 2006-12-26 US disclosed
EP-1685176-A2 FLAME RETARDANT, ADDITIVE COMPOSITIONS, AND FLAME RETARDANT POLYURETHANES ALBEMARLE CORPORATION (US) 2006-08-02 EP disclosed
WO-2005052018-A2 FLAME RETARDANT, ADDITIVE COMPOSITIONS, AND FLAME RETARDANT POLYURETHANES ALBEMARLE CORPORATION (US) 2005-06-09 WO disclosed
US-20050113495-A1 Flame retardant, additive compositions, and flame retardant polyurethanes ALBEMARLE CORPORATION 2005-05-26 US disclosed