SCHEMBL9419658

SCHEMBL9419658

C1CCCOCC1.C=C(C)C(=O)OCCO

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX1 P07099 1/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
Tetrahydrofuran SCHEMBL5508826 0.98 TSHR (0.49) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL14648232 0.91 THRB (0.48) TSHRTHRBALDH1A1POLBAPEX1
Dioxane SCHEMBL158462 0.91 THRB (0.48) TSHRTHRBALDH1A1POLBAPEX1
Tetrahydrofuran SCHEMBL22441892 0.89 TSHR (0.41) TSHRTHRBALDH1A1POLBAPEX1
Tetrahydrofuran SCHEMBL11126766 0.89 THRB (0.55) TSHRTHRBALDH1A1POLBAPEX1
Oxirane SCHEMBL170556 0.89 THRB (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL14841686 0.88 TSHR (0.49) TSHRTHRBALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL27539985 0.84 THRB (0.46) TSHRTHRBALDH1A1POLBAPEX1
Tetrahydrofuran SCHEMBL28615122 0.84 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL29035001 0.84 THRB (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354034-B1 Resin composition TORAY INDUSTRIES (JP) 1994-11-02 EP disclosed
US-5047475-A Automobile trims; exteriors of electrical appliances TORAY INDUSTRIES, INC. (JP) 1991-09-10 US disclosed
EP-0354034-A2 Resin composition TORAY INDUSTRIES, INC. (JP) 1990-02-07 EP disclosed