SCHEMBL28628466

SCHEMBL28628466

O=C(/C=C/C(=O)OC(O)CCCCCO)OC(O)CCCCCO

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PTPN1 P18031 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
SCHEMBL28614320 1.00 HCAR2 (0.32) HCAR2GPR84FFAR1FFAR4PTPN1
SCHEMBL28921785 1.00 HCAR2 (0.32) HCAR2GPR84FFAR1FFAR4PTPN1
SCHEMBL28614319 1.00 HCAR2 (0.32) HCAR2GPR84FFAR1FFAR4PTPN1
SCHEMBL28747834 0.92 HCAR2 (0.34) HCAR2
SCHEMBL28538111 0.85 ALDH1A1 (0.32)
SCHEMBL8852415 0.85 TSHR (0.39) GPR84FFAR1FFAR4
SCHEMBL8850393 0.85 TSHR (0.39) GPR84FFAR1FFAR4
SCHEMBL8850672 0.85 TSHR (0.39) GPR84FFAR1FFAR4
SCHEMBL8853042 0.85 TSHR (0.39) GPR84FFAR1FFAR4
SCHEMBL8892195 0.85 TSHR (0.39) GPR84FFAR1FFAR4

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
CN-115583901-A Aliphatic diol sulfonate compound and preparation method thereof 四川瀚洲化工科技有限公司 2023-01-10 CN disclosed
CN-109705581-B Silicone rubber composition, silicone rubber and preparation method thereof 浙江清华柔性电子技术研究院 2021-07-13 CN disclosed