SCHEMBL9404445

SCHEMBL9404445

CCC1(C)OC=C(O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.33
DRD2 P14416 1/20 0.33
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL27548528 0.75 SIGMAR1 (0.33) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL1003235 0.73
SCHEMBL3921452 0.71
SCHEMBL3673897 0.71
SCHEMBL1608029 0.62 TYR (0.30)
SCHEMBL887992 0.61
SCHEMBL23283636 0.60
SCHEMBL7874802 0.55
SCHEMBL13078187 0.55
SCHEMBL22715989 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4096618-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2022-12-07 EP claimed
WO-2022122143-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2022-06-16 WO claimed
JP-6279483-A None JP disclosed
CN-114341323-A Compounds providing long lasting floral and fruity notes 弗门尼舍有限公司 2022-04-12 CN disclosed
JP-H06279483-A PRODUCTION OF D-XYLULOSE 5-PHOSPHATE KIKKOMAN CORP 1994-10-04 JP disclosed