SCHEMBL21587553

SCHEMBL21587553

NCOP(=O)(OCCO)OCCO

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 2/20 0.39
TSHR P16473 3/20 0.33
MAPK1 P28482 1/20 0.32
PPARD Q03181 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL632894 0.89 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMAPK1PPARD
SCHEMBL3454568 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRMAPK1PPARD
Ethylamine SCHEMBL28209494 0.81 TSHR (0.56) ALDH1A1CYP3A4TSHRPPARD
SCHEMBL6393988 0.80 PLA2G2C (0.33) TSHRPPARD
SCHEMBL3179518 0.80 TSHR (0.47) ALDH1A1CYP3A4TSHR
SCHEMBL992694 0.77 TSHR (0.65) ALDH1A1CYP3A4TSHRPPARDMEN1
SCHEMBL28739951 0.77 CYP3A4 (0.54) ALDH1A1CYP3A4TSHRPPARDMEN1
SCHEMBL1460307 0.77 PPARD (0.50) PPARD
SCHEMBL16744306 0.75 TSHR (0.62) ALDH1A1CYP3A4TSHRPPARDMEN1
SCHEMBL27827115 0.75 TSHR (0.44) ALDH1A1CYP3A4TSHRPPARD

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-114013386-B Stamping, in particular for permanently closing holes 德莎欧洲股份公司 2024-04-16 CN disclosed
CN-109476979-B Polyol premixes with improved shelf life 阿科玛股份有限公司 2022-07-01 CN disclosed
CN-106750490-B Tetrafluorobutene blowing agent compositions for polyurethane foams 阿科玛股份有限公司 2020-02-14 CN disclosed
EP-3259294-B1 HIGH TEMPERATURE RESISTANT FOAMS COVESTRO DEUTSCHLAND AG (DE) 2019-12-18 EP disclosed