SCHEMBL30690845

SCHEMBL30690845

CCCCC(CC)C(OOC(C)(C)C)OC(=O)O.CCCCOC(=O)CCC(C)(OOC(C)(C)C)OOC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
DGKA P23743 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
SCHEMBL165679 0.83 CA2 (0.40) CYP3A4TSHRATMTDP1
Hydrogen Peroxide SCHEMBL28176159 0.80 DGKA (0.44) TSHRATMALDH1A1DGKA
SCHEMBL44038 0.79 DGKA (0.46) TSHRATMALDH1A1DGKA
SCHEMBL29027445 0.78 CA2 (0.33)
Dodecane SCHEMBL12471512 0.77 DGKA (0.51) TSHRALDH1A1DGKA
SCHEMBL7946403 0.75 LMNA (0.44) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL30457066 0.75 CA2 (0.37)
SCHEMBL31164257 0.75 CA2 (0.37)
SCHEMBL19971908 0.74 NAAA (0.51) TSHRALDH1A1DGKA
SCHEMBL165678 0.74 CA2 (0.38) CYP3A4TSHRATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117255825-A Polyolefin composition and process for preparing the same 迈图高新材料公司 2023-12-19 CN disclosed