SCHEMBL28055762

SCHEMBL28055762

CC(C)OOC(C)C.CCC(C)(C)OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL475145 0.87
SCHEMBL28245647 0.84 TSHR (0.39) ALDH1A1TSHRTDP1CYP1A2CYP2D6
Water SCHEMBL28233467 0.84 TSHR (0.39) ALDH1A1TSHRTDP1CYP1A2CYP2D6
SCHEMBL15733338 0.78 DGAT1 (0.34) TSHRCYP2D6
SCHEMBL2375367 0.78 ALDH1A1 (0.31) ALDH1A1TSHRTDP1
SCHEMBL12873376 0.75 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL6896990 0.72 TSHR (0.37) ALDH1A1TSHRTDP1
SCHEMBL6725263 0.72 CYP1A2 (0.39) ALDH1A1TSHRTDP1CYP1A2CYP2D6
SCHEMBL3315046 0.72
SCHEMBL609955 0.71 MMP8 (0.36) TSHRCYP2D6CYP2C19

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-106928385-A The manufacture method of polyethylene or polyethylene vinylacetate copolymers 韩华道达尔有限公司 2017-07-07 CN claimed
CN-110164599-A The manufacturing method of cable and cable 日立金属株式会社 2019-08-23 CN disclosed
CN-106928385-A The manufacture method of polyethylene or polyethylene vinylacetate copolymers 韩华道达尔有限公司 2017-07-07 CN disclosed
CN-105283709-A LED unit PANASONIC IP MAN CO LTD 2016-01-27 CN disclosed