SCHEMBL1661821

SCHEMBL1661821

COC(=O)C(C)(OC(C)=O)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.41
KCNN4 O15554 1/20 0.32
TSHR P16473 2/20 0.32
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
THPO P40225 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
SCHEMBL7341692 0.91 DGAT1 (0.40) DGAT1ALDH1A1GAATSHR
SCHEMBL4677120 0.79 DGAT1 (0.46) DGAT1ALDH1A1GAAKCNN4TSHR
SCHEMBL11841794 0.79 DGAT1 (0.46) DGAT1ALDH1A1GAAKCNN4TSHR
SCHEMBL10260464 0.75 DGAT1 (0.43) DGAT1ALDH1A1GAAKCNN4
SCHEMBL12121537 0.75 DGAT1 (0.46) DGAT1ALDH1A1KCNN4TSHR
SCHEMBL2403192 0.75 GAA (0.52) ALDH1A1GAATSHR
SCHEMBL14946214 0.74 DGAT1 (0.41) DGAT1ALDH1A1GAAKCNN4TSHR
Butanedione SCHEMBL11245733 0.72 GAA (0.39) ALDH1A1GAATSHRTHPO
SCHEMBL4828773 0.72 DGAT1 (0.40) DGAT1ALDH1A1GAA
SCHEMBL10696576 0.70 GAA (0.42) ALDH1A1GAATSHR

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
US-8084545-B2 Photo- and/or thermo-curable copolymer, curable resin compositions, and cured articles DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-12-27 US disclosed
US-20110112266-A1 CURABLE COPOLYMER AND CURABLE RESIN COMPOSITION DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-12 US disclosed
EP-2308905-A1 CURABLE COPOLYMER AND CURABLE RESIN COMPOSITION Daicel Chemical Industries, Ltd. (JP) 2011-04-13 EP disclosed
US-20100137515-A1 PHOTO- AND/OR THERMO-CURABLE COPOLYMER, CURABLE RESIN COMPOSITIONS, AND CURED ARTICLES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-03 US disclosed
EP-2147937-A1 PHOTO- AND/OR THERMO-CURABLE COPOLYMER, CURABLE RESIN COMPOSITIONS, AND CURED ARTICLES Daicel Chemical Industries, Ltd. (JP) 2010-01-27 EP disclosed