SCHEMBL28875212

SCHEMBL28875212

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ALDH1A1 P00352 3/20 0.47
THRB P10828 1/20 0.44
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 6/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32

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
SCHEMBL5366047 0.91 ALDH1A1 (0.58) TSHRALDH1A1THRBPOLBAPEX1
Methoxymethane SCHEMBL2008044 0.87 TSHR (0.60) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL15480 0.87 TSHR (0.64) TSHRALDH1A1THRBPOLBAPEX1
Lithium SCHEMBL31087663 0.85 TSHR (0.62) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL31250004 0.85 TSHR (0.62) TSHRALDH1A1THRBPOLBAPEX1
Ammonia Solution, Strong SCHEMBL28569838 0.85 TSHR (0.62) TSHRALDH1A1THRBPOLBAPEX1
Water SCHEMBL7119412 0.85 TSHR (0.62) TSHRALDH1A1THRBPOLBAPEX1
Hydrochloric Acid SCHEMBL8398425 0.85 TSHR (0.62) TSHRALDH1A1THRBPOLBAPEX1
Potassium SCHEMBL31087662 0.85 TSHR (0.62) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL28973888 0.85 TSHR (0.62) TSHRALDH1A1THRBPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088144-A METHOD FOR PRODUCING POLYMER MICROPARTICLES 东亚合成株式会社 2019-08-02 CN disclosed