SCHEMBL5138517

SCHEMBL5138517

C=C(C)C(=O)OC(C)COC.C=C(C)C(=O)OCCCO

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
THRB P10828 1/20 0.40
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL503503 0.85 TSHR (0.50) TSHRTHRBALDH1A1
1,3-Propanediol SCHEMBL9121271 0.84 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
1,4-Butanediol SCHEMBL3421213 0.84 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28324958 0.83 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
Methoxymethane SCHEMBL2008044 0.82 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15480 0.82 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
1,4-Butanediol SCHEMBL1225181 0.81 TSHR (0.45) TSHRTHRBPOLBAPEX1HTT
1,6-Hexanediol SCHEMBL14343519 0.81 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
Ethylene Glycol SCHEMBL244174 0.80 TSHR (0.66) TSHRTHRBALDH1A1
Ethylene Glycol SCHEMBL8852973 0.80 TSHR (0.66) TSHRTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1947720-A2 A Proton exchange membrane fuel cell power system Relion, Inc. (US) 2008-07-23 EP disclosed
EP-1947727-A2 A Proton exchange membrane fuel cell power system Relion, Inc. (US) 2008-07-23 EP disclosed
EP-1942540-A2 A proton exchange membrane fuel cell power system Relion, Inc. (US) 2008-07-09 EP disclosed
EP-1942538-A2 A Proton exchange membrane fuel cell power system Relion, Inc. (US) 2008-07-09 EP disclosed
EP-1942543-A2 A proton exchange membrane fuel cell power system Relion, Inc. (US) 2008-07-09 EP disclosed