SCHEMBL8955602

SCHEMBL8955602

C=C(C)C(=O)OCCC(CC(C)C)OC(=O)C(=C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.33
CTSK P43235 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
SCHEMBL2169332 0.89 TSHR (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL31435672 0.84 TSHR (0.52) TSHRTHRBALDH1A1TDP1CTSK
SCHEMBL2587139 0.83 THRB (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8942672 0.83 THRB (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL15407 0.83 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL17506168 0.83 TSHR (0.44) TSHRTHRBALDH1A1CTSK
SCHEMBL6669934 0.83 TSHR (0.44) TSHRTHRBALDH1A1CTSK
SCHEMBL11048077 0.81 TSHR (0.51) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL92854 0.81 TSHR (0.43) TSHRTHRBALDH1A1CTSK
SCHEMBL23494245 0.81 TSHR (0.55) TSHRTHRBALDH1A1POLBAPEX1

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
EP-0690080-A2 Hindered-hydroxyl functional (meth) acrylate monomers containing di (meth) acrylates and compositions including same UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-01-03 EP claimed
US-5442023-A Without premature crosslinking or gel formation; curable protective coatings, inks, adhesives UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1995-08-15 US claimed
EP-0690080-A2 Hindered-hydroxyl functional (meth) acrylate monomers containing di (meth) acrylates and compositions including same UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-01-03 EP disclosed
US-5442023-A Without premature crosslinking or gel formation; curable protective coatings, inks, adhesives UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1995-08-15 US disclosed