SCHEMBL28110442

SCHEMBL28110442

CC(C(=O)O)C(C(=O)O)C(O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
TP53 P04637 1/20 0.45
CYP2C9 P11712 1/20 0.32
PDE4A P27815 1/20 0.32
SLC7A5 Q01650 1/20 0.32
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8605204 0.82 TP53 (0.47) TSHRTP53SLC7A5
SCHEMBL9722956 0.80 TSHR (0.50) TSHRTP53CYP2C9PDE4ASLC7A5
SCHEMBL3760910 0.80 TSHR (0.50) TSHRTP53CYP2C9PDE4ASLC7A5
SCHEMBL28397725 0.80 TSHR (0.50) TSHRTP53CYP2C9PDE4ASLC7A5
SCHEMBL14748299 0.80 TSHR (0.50) TSHRTP53CYP2C9PDE4ASLC7A5
SCHEMBL5970422 0.80 TP53 (0.47) TSHRTP53SLC7A5
SCHEMBL19585105 0.80 TSHR (0.50) TSHRTP53CYP2C9PDE4ASLC7A5
SCHEMBL3137028 0.80 TSHR (0.50) TSHRTP53CYP2C9PDE4ASLC7A5
SCHEMBL259033 0.80 TSHR (0.50) TSHRTP53CYP2C9PDE4ASLC7A5
SCHEMBL19359097 0.80 TSHR (0.50) TSHRTP53CYP2C9PDE4ASLC7A5

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
CN-103814101-B9 Curable composition and cured product thereof 株式会社钟化 2017-03-01 CN disclosed
CN-104105766-B Waterproof coating material and building roof having coating film formed therefrom 株式会社钟化 2016-12-28 CN disclosed
CN-103827226-B Solidification compound 株式会社钟化 2016-12-07 CN disclosed