SCHEMBL28612082

SCHEMBL28612082

NCCNOCCOCCOCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.32
APP P05067 2/20 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
SCHEMBL28993297 1.00 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28235430 1.00 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL2360068 0.86
SCHEMBL28758057 0.84 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3940814 0.78
Tetraethylene Glycol SCHEMBL28612085 0.78 MEN1 (0.79) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL28235433 0.78 MEN1 (0.79) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL24040362 0.76 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9501060 0.76 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL28758058 0.75 MEN1 (0.73) MEN1KMT2ATSHRMAPK1THRB

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-114395095-A Method for synthesizing main chain type benzoxazine 衡阳师范学院 2022-04-26 CN claimed
CN-110229283-B Method for preparing polycarboxylate superplasticizer at normal temperature under alkaline condition 镇江苏博特新材料有限公司 2021-09-28 CN disclosed
CN-109863204-B Polyoxymethylene resin composition 韩国工程塑科株式会社 2021-09-03 CN disclosed