SCHEMBL28536951

SCHEMBL28536951

[CH2]COC(=O)CC(C)=O.[Ti]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.52
GAA P10253 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
ALDH1A1 P00352 4/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL95375 0.97
SCHEMBL28686596 0.95 MGAM (0.52) MGAMGAASIMGAM2HTT
SCHEMBL28589229 0.95 MGAM (0.52) MGAMGAASIMGAM2HTT
Acrylic Acid Methyl Ester SCHEMBL28256033 0.82 MGAM (0.45) MGAMGAASIMGAM2TSHR
SCHEMBL2184225 0.78 MGAM (0.63) MGAMGAASIMGAM2HTT
SCHEMBL94709 0.78 GAA (0.50) MGAMGAASIMGAM2HTT
SCHEMBL429684 0.77 GAA (0.70) MGAMGAASIMGAM2TSHR
SCHEMBL429584 0.77 GAA (0.70) MGAMGAASIMGAM2TSHR
SCHEMBL429620 0.77 GAA (0.70) MGAMGAASIMGAM2TSHR
SCHEMBL428066 0.77 GAA (0.70) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480860-B Single-component silicone sealant with excellent yellowing resistance and weather resistance and preparation method thereof 广西华纳新材料股份有限公司 2022-10-04 CN claimed
CN-112480860-A Single-component silicone sealant with excellent yellowing resistance and weather resistance and preparation method thereof 广西华纳新材料科技有限公司 2021-03-12 CN claimed
CN-114008113-A Resin composition, method for producing same, and multi-component curable resin composition 株式会社钟化 2022-02-01 CN disclosed
CN-112480860-A Single-component silicone sealant with excellent yellowing resistance and weather resistance and preparation method thereof 广西华纳新材料科技有限公司 2021-03-12 CN disclosed