SCHEMBL8504591

SCHEMBL8504591

C=CC(=O)OC(C)CC.C=CC(=O)OCC(C)C

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.72
HPGD P15428 2/20 0.42
ALDH1A1 P00352 6/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.31

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
SCHEMBL17868882 0.90 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30589890 0.87 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268430 0.87 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL34386 0.87
SCHEMBL18215270 0.87
SCHEMBL18215276 0.87
Methacrylic Acid SCHEMBL28071865 0.86 TSHR (0.54) TSHRHPGDTHRBSMN1; SMN2
Acrylic Acid Ethyl Ester SCHEMBL28717227 0.86 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL8565034 0.85 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10445967 0.85 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A

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
US-5897974-A MISCIBLE BLEND OF AN ACRYLIC POLYMER HAVING A POLY (1,2-ALKYLENEOXY) SIDE CHAIN, A CO- OR HOMOPOLYMER OF AN ACRYLIC AND A GROUP 1A OR 2A METAL SALT; RECHARGEABLE BATTERIES; DIMENSIONAL STABILITY; SOLVENT-, CROSSLINKING-FREE ROHM AND HAAS COMPANY (US) 1999-04-27 US disclosed
EP-0825619-A2 Solid polymeric electrolyte ROHM AND HAAS COMPANY (US) 1998-02-25 EP disclosed
EP-0821368-A2 Electrolyte and electrolytic cell ROHM AND HAAS COMPANY (US) 1998-01-28 EP disclosed