SCHEMBL5850574

SCHEMBL5850574

O=P(O)(OCCCBr)OCCCBr

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.38
LPAR2 Q9HBW0 5/20 0.38
LPAR1 Q92633 4/20 0.38
ITPR3 Q14573 1/20 0.34
ITPR1 Q14643 1/20 0.34
P2RY10 O00398 4/20 0.33
GPR34 Q9UPC5 2/20 0.33
BTN3A1 O00481 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32

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
SCHEMBL8211315 0.92 LPAR3 (0.41) LPAR3LPAR2LPAR1ITPR3ITPR1
SCHEMBL17333606 0.90 LPAR3 (0.45) LPAR3LPAR2LPAR1P2RY10GPR34
SCHEMBL11315061 0.86 LPAR3 (0.38) LPAR3LPAR2LPAR1ITPR3ITPR1
SCHEMBL26656680 0.85 LPAR3 (0.62) LPAR3LPAR2LPAR1P2RY10GPR34
SCHEMBL26656479 0.85 LPAR3 (0.62) LPAR3LPAR2LPAR1P2RY10GPR34
SCHEMBL8416764 0.84
SCHEMBL5827133 0.83 BTN3A1 (0.35) LPAR3LPAR2LPAR1BTN3A1TSHR
SCHEMBL28863080 0.82 LPAR3 (0.52) LPAR3LPAR2LPAR1CSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL10797843 0.82 LPAR3 (0.52) LPAR3LPAR2LPAR1CSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL11086269 0.82 LPAR3 (0.52) LPAR3LPAR2LPAR1CSNK2A2CSNK2B

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
US-4123420-A Aromatic copolyester composition containing phosphorus compounds UNITIKA LTD. (JP) 1978-10-31 US claimed
CN-116425753-A Pyrrolizine skeleton pyrimidine ring substituted derivative, preparation method thereof and flow battery 西安交通大学 2023-07-14 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
US-4123420-A Aromatic copolyester composition containing phosphorus compounds UNITIKA LTD. (JP) 1978-10-31 US disclosed