SCHEMBL31235682

SCHEMBL31235682

N#CC(C#N)C(=O)OCCOCCOCCO

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 6/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 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
SCHEMBL31235699 1.00 MEN1 (0.46) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL31235593 1.00 MEN1 (0.46) MEN1KMT2ATSHRMAPK1ALDH1A1
Ethylene Glycol SCHEMBL11432012 0.89 TSHR (0.33) TSHR
SCHEMBL11011933 0.87 TSHR (0.39) TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL3982038 0.87
SCHEMBL11423976 0.82 GAA (0.40) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9189507 0.81 TSHR (0.31) TSHR
SCHEMBL6354445 0.78 MEN1 (0.50) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL11005545 0.78 MEN1 (0.50) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL11707688 0.78 ALDH1A1 (0.34) TSHRALDH1A1

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
WO-2024203772-A1 METHOD FOR PRODUCING ALPHA-CYANOACRYLATE 東亞合成株式会社 2024-10-03 WO disclosed