SCHEMBL29620993

SCHEMBL29620993

COC(C/C=C/CCO)OC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
RCE1 Q9Y256 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL29621225 1.00 HTT (0.33) HTTALDH1A1CYP3A4ALOX15CYP2C19
SCHEMBL29492605 0.81 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15CYP2C19
SCHEMBL29621382 0.81 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15CYP2C19
SCHEMBL9561634 0.80 HTT (0.35) HTTRCE1MAPT
SCHEMBL9561630 0.80 HTT (0.35) HTTRCE1MAPT
SCHEMBL28937640 0.77 ALDH1A1 (0.32) ALDH1A1CYP3A4ALOX15CYP2C19
SCHEMBL29621117 0.77 THRB (0.31) ALDH1A1
SCHEMBL28734268 0.77 ALDH1A1 (0.32) ALDH1A1CYP3A4ALOX15CYP2C19
SCHEMBL29621296 0.77 ALDH1A1 (0.32) ALDH1A1CYP3A4ALOX15CYP2C19
SCHEMBL29621140 0.76 HTT (0.30) HTT

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-114380673-B Dialkoxy alkenyl alkoxy methyl ether compound and method for preparing terminal conjugated alkadiene aldehyde compound from same 信越化学工业株式会社 2024-09-13 CN disclosed
CN-114380673-A Dialkoxyalkenylalkoxymethyl ether compounds and process for producing conjugated alkadienal compounds from the same 信越化学工业株式会社 2022-04-22 CN disclosed