SCHEMBL9488445

SCHEMBL9488445

C=CC(=O)OCCC.C=CC(=O)OCCO

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.79
HPGD P15428 1/20 0.64
ALDH1A1 P00352 4/20 0.54
TP53 P04637 3/20 0.54
HIF1A Q16665 3/20 0.54
CYP3A4 P08684 2/20 0.54
HSD17B10 Q99714 1/20 0.54
THRB P10828 3/20 0.49
HCAR2 Q8TDS4 4/20 0.48
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.42
ACHE P22303 1/20 0.40
MGLL Q99685 1/20 0.37
APP P05067 1/20 0.36

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
Acrylic Acid SCHEMBL4862063 0.94 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
Butane SCHEMBL9563115 0.94 TSHR (0.83) TSHRHPGDALDH1A1TP53HIF1A
Ethylene Glycol SCHEMBL27646440 0.94 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A
Alcohol SCHEMBL28276836 0.91 TSHR (0.86) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14982 0.91
SCHEMBL30074662 0.91 TSHR (0.75) TSHRHPGDALDH1A1TP53HIF1A
Hexane SCHEMBL8110181 0.90 TSHR (0.76) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL15846411 0.89
Ethylene SCHEMBL7197435 0.89 TSHR (0.72) TSHRHPGDALDH1A1TP53HIF1A
Potassium SCHEMBL31216415 0.89

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
US-5221589-A Water soluble or dispersible vinyl alcohol polymer, acrylic amide-containing polymerizable compound, photoinitiator NIPPON PAINT CO., LTD. (JP) 1993-06-22 US disclosed