SCHEMBL5491053

SCHEMBL5491053

CCCCP(=O)(CC)OCCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPM8 Q7Z2W7 3/20 0.40
LPAR3 Q9UBY5 5/20 0.39
LPAR2 Q9HBW0 3/20 0.39
LPAR1 Q92633 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GABBR2 O75899 1/20 0.34
GABRR1 P24046 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL28225458 0.91 LPAR3 (0.45) CYP3A4TRPM8LPAR3LPAR2LPAR1
SCHEMBL575735 0.91 CYP3A4 (0.56) CYP3A4HPGDSMN1; SMN2TRPM8LPAR3
SCHEMBL575171 0.91 CYP3A4 (0.48) CYP3A4HPGDSMN1; SMN2TRPM8LPAR3
SCHEMBL28226198 0.89 CYP3A4 (0.54) CYP3A4HPGDSMN1; SMN2TRPM8LPAR3
SCHEMBL5486906 0.86 CYP3A4 (0.44) CYP3A4HPGDSMN1; SMN2TRPM8LPAR3
SCHEMBL4246781 0.86 MEN1 (0.38) CYP3A4HPGDSMN1; SMN2LPAR3LPAR2
SCHEMBL575784 0.84 TSHR (0.44) CYP3A4HPGDSMN1; SMN2TRPM8LPAR3
SCHEMBL5491031 0.83 CYP3A4 (0.50) CYP3A4HPGDSMN1; SMN2TRPM8LPAR3
SCHEMBL575364 0.83 CYP3A4 (0.42) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL1295944 0.83 LPAR3 (0.55) CYP3A4TRPM8LPAR3LPAR2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164623-A Synthesis method of dialkyl phosphinate 江苏利思德新材料股份有限公司 2023-12-05 CN claimed
CN-117164623-A Synthesis method of dialkyl phosphinate 江苏利思德新材料股份有限公司 2023-12-05 CN disclosed
US-20070087270-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SOLUTION SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2007-04-19 US disclosed
US-7169511-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte solution secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2007-01-30 US disclosed
EP-1555711-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY CONTAINING THE SAME Mitsubishi Chemical Corporation (JP) 2005-07-20 EP disclosed
US-20050014071-A1 Nonaqueous electrolyte solution and nonaqueous electrolyte solution secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-01-20 US disclosed