SCHEMBL28845281

SCHEMBL28845281

C=C(CCCS(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
ENPP2 Q13822 3/20 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
SCHEMBL27923348 0.84 PTGS1 (0.39) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL10790859 0.84 ENPP2 (0.35) ENPP2
SCHEMBL7055702 0.75 APP (0.44) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL9193086 0.75 ENPP2 (0.43) ENPP2
Hydrochloric Acid SCHEMBL28047320 0.73 ENPP2 (0.42) ENPP2
SCHEMBL11692630 0.73
SCHEMBL3260172 0.73 ENPP2 (0.50) PDE4AENPP2
Ethylene SCHEMBL6420680 0.72 APP (0.58) APPPTGS1PDE4ALMNASLC6A6
Ethylene SCHEMBL6422088 0.72 APP (0.58) APPPTGS1PDE4ALMNASLC6A6
Ethylene SCHEMBL6413159 0.72 APP (0.58) APPPTGS1PDE4ALMNASLC6A6

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-114144407-B Process for producing cyclic disulfonate compound 住友精化株式会社 2024-02-13 CN disclosed
CN-115066421-A Method for producing methylene disulfonate compound 住友精化株式会社 2022-09-16 CN disclosed
CN-114144407-A Process for producing cyclic disulfonate compound 住友精化株式会社 2022-03-04 CN disclosed