SCHEMBL9558554

SCHEMBL9558554

C=C(C)C(=O)OCC(OC)(OC)OC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.44
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL269872 0.87 THRB (0.46) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL942089 0.83 TSHR (0.47) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL17681954 0.81 TSHR (0.45) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL57880 0.79 TSHR (0.52) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL396763 0.79 TSHR (0.44) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL2248762 0.79 THRB (0.50) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL6570482 0.79 TSHR (0.44) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL20135807 0.79 THRB (0.50) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL17339998 0.78 TSHR (0.42) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL5783939 0.78 TSHR (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5194633-A None JP disclosed
CN-116034039-A Tire with a tire body 住友橡胶工业株式会社 2023-04-28 CN disclosed
JP-H05194633-A POLYMER END-MODIFIED POLYOLEFIN TONEN CORP 1993-08-03 JP disclosed