SCHEMBL28831731

SCHEMBL28831731

CCCC#CC#CC(OC)OC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 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
SCHEMBL303163 0.74 HMGCR (0.37) HMGCR
SCHEMBL7527243 0.71 HMGCR (0.42) HMGCR
SCHEMBL27988136 0.68 PTPN7 (0.36) HMGCR
SCHEMBL12418548 0.68 HMGCR (0.47) HMGCR
SCHEMBL29156574 0.67
SCHEMBL10814351 0.67 PTPN7 (0.39) HMGCR
SCHEMBL27987815 0.67 PTPN7 (0.39) HMGCR
SCHEMBL756594 0.67 PTPN7 (0.39) HMGCR
SCHEMBL31222826 0.65 HMGCR (0.30) HMGCR
SCHEMBL15144949 0.65 HMGCR (0.30) HMGCR

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-114989013-A Synthesis method of trans-2-cis-4-decadienoic acid ethyl ester 安徽华业香料合肥有限公司 2022-09-02 CN disclosed