SCHEMBL8773894

SCHEMBL8773894

C=C(C)C(=O)OCC(C)(C)COC(=O)C(=C)C.C=C(C)C(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.57
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SERPINE1 P05121 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL15337 0.94 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16678759 0.90 TSHR (0.65) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4796812 0.90 TSHR (0.65) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13862895 0.88 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8966019 0.88 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL28241961 0.88 TSHR (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9576258 0.88 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11682314 0.88 TSHR (0.45) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL9485953 0.87 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL619217 0.87 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802928-A1 USE OF POLYGLYCEROL ALIPHATIC ETHER EMULSIFIERS IN MAKING HIGH INTERNAL PHASE EMULSIONS THAT CAN BE POLYMERIZED TO PROVIDE ABSORBENT FOAMS THE PROCTER & GAMBLE COMPANY (US) 1997-10-29 EP disclosed
WO-1996021679-A1 USE OF POLYGLYCEROL ALIPHATIC ETHER EMULSIFIERS IN MAKING HIGH INTERNAL PHASE EMULSIONS THAT CAN BE POLYMERIZED TO PROVIDE ABSORBENT FOAMS THE PROCTER & GAMBLE COMPANY (US) 1996-07-18 WO disclosed