SCHEMBL29118654

SCHEMBL29118654

Br[Mg]Br.CS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
PTGS2 P35354 11/20 0.36
PTGS1 P23219 1/20 0.33

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
SCHEMBL20194 0.91 ENPP2 (0.50) ENPP2PTGS2
SCHEMBL746134 0.77 PTGS2 (0.50) ENPP2PTGS2PTGS1
Methylphenylsulfone SCHEMBL28288197 0.76 PTGS2 (0.54) ENPP2PTGS2
SCHEMBL2937729 0.72 HTT (0.47) ENPP2PTGS2PTGS1
SCHEMBL2440978 0.72 MAOB (0.46) ENPP2PTGS2PTGS1
SCHEMBL2440976 0.72 MAOB (0.46) ENPP2PTGS2PTGS1
SCHEMBL2440979 0.72 MAOB (0.46) ENPP2PTGS2PTGS1
SCHEMBL5457984 0.72 ENPP2 (0.43) ENPP2
SCHEMBL17290582 0.71 ENPP2 (0.36) ENPP2
SCHEMBL2376239 0.71 ENPP2 (0.72) ENPP2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117185972-B Preparation method of florfenicol intermediate 苏州开元民生科技股份有限公司 2024-02-13 CN claimed
CN-117185972-A Preparation method of florfenicol intermediate 苏州开元民生科技股份有限公司 2023-12-08 CN claimed
CN-117185972-B Preparation method of florfenicol intermediate 苏州开元民生科技股份有限公司 2024-02-13 CN disclosed
CN-117185972-A Preparation method of florfenicol intermediate 苏州开元民生科技股份有限公司 2023-12-08 CN disclosed