SCHEMBL27899487

SCHEMBL27899487

N#CCCCCC(=O)OC(=O)SS

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL9504716 0.82 ALDH1A1 (0.39) TSHR
SCHEMBL25283507 0.76 PTGS1 (0.44) TSHR
SCHEMBL444990 0.75 TSHR (0.58) TSHR
SCHEMBL5977259 0.73 TSHR (0.56) TSHR
SCHEMBL5978450 0.73 TSHR (0.56) TSHR
SCHEMBL5979524 0.73 TSHR (0.56) TSHR
SCHEMBL3044294 0.73 TSHR (0.56) TSHR
SCHEMBL5976933 0.73 TSHR (0.56) TSHR
SCHEMBL5978617 0.73 TSHR (0.56) TSHR
SCHEMBL5978990 0.73 TSHR (0.56) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103059215-A Glycine betaine ester intelligent hydrogel relatively controllable in structure and preparation method and application UNIV SOUTH CHINA TECH 2013-04-24 CN claimed
CN-103059215-A Glycine betaine ester intelligent hydrogel relatively controllable in structure and preparation method and application UNIV SOUTH CHINA TECH 2013-04-24 CN disclosed