SCHEMBL28408012

SCHEMBL28408012

CCC(CC)OC(=O)C1(C)CC(C)(C)CCC1(C)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL28409265 0.82 ALDH1A1 (0.34) ALDH1A1
SCHEMBL28923755 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28408010 0.72
SCHEMBL28923641 0.71 TSHR (0.33) ALDH1A1
SCHEMBL9152847 0.66 FFAR3 (0.56) ALDH1A1
SCHEMBL9152850 0.66 FFAR3 (0.56) ALDH1A1
SCHEMBL14439315 0.66 FFAR3 (0.56) ALDH1A1
SCHEMBL11258470 0.63 FFAR3 (0.42) ALDH1A1
SCHEMBL28923578 0.62
SCHEMBL3144178 0.61 POLB (0.41) ALDH1A1

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-111171195-A Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same 韩华道达尔有限公司 2020-05-19 CN disclosed