SCHEMBL28450554

SCHEMBL28450554

C=CC(=O)OCCOC(C)OC(C)N=C=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 2/20 0.40
HPGD P15428 1/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1770462 0.88 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL32689960 0.79 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1770461 0.79 TSHR (0.35) TSHR
SCHEMBL28344033 0.77 TSHR (0.45) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2455959 0.76 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28450555 0.76 TSHR (0.33) TSHR
SCHEMBL3666306 0.75 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL22829484 0.75 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL15495137 0.75 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28010427 0.74 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699176-B Method for producing polymer and compound containing radical polymerization initiating group 大日精化工业株式会社 2021-11-30 CN disclosed
CN-111886545-A Photocurable/thermosetting resin composition, dry film, cured product, and printed wiring board 太阳油墨制造株式会社 2020-11-03 CN disclosed
CN-110446725-B Method for producing polymer, compound containing initiating group for radical polymerization, and polymer 大日精化工业株式会社 2020-09-22 CN disclosed