SCHEMBL28258772

SCHEMBL28258772

C=CS(=O)(=O)OCCO.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 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
SCHEMBL93690 0.98
SCHEMBL5571540 0.82 CA2 (0.39) CA2CA9
SCHEMBL6048354 0.78
SCHEMBL5574156 0.77 CA2 (0.38) TSHRCA2CA9
SCHEMBL5574837 0.77 CA2 (0.43) TSHRCA2CA9
SCHEMBL28561029 0.76 CA2 (0.46) TSHRCA2CA9
SCHEMBL5572432 0.75 CA1 (0.46) TSHRCA2CA9
SCHEMBL5574906 0.75 CA1 (0.46) TSHRCA2CA9
SCHEMBL22735457 0.75 ALDH1A1 (0.36) TSHRCA2CA9
SCHEMBL5572429 0.75 CA1 (0.46) TSHRCA2CA9

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-108996550-A MFe2O4Nanometer particle congery and preparation method thereof 东北师范大学 2018-12-14 CN disclosed