SCHEMBL9225822

SCHEMBL9225822

O=S(=O)(CCO)OS(=O)(=O)CCO

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL970747 0.89
SCHEMBL28085546 0.87 LMNA (0.36)
SCHEMBL3399207 0.85 CA2 (0.33) CA2
SCHEMBL4652983 0.81 CA2 (0.35) CA2
SCHEMBL27585902 0.78
SCHEMBL19285917 0.75
SCHEMBL28032273 0.75
SCHEMBL417183 0.75
SCHEMBL28120342 0.75
SCHEMBL28068159 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102414167-B Nitrogenous isethionate in registrable, stable agricultural formulations HUNTSMAN PETROCHEMICAL LLC (US) 2016-01-06 CN disclosed
CN-102414167-A Nitrogen-containing isethionates in registrable, stable agricultural formulations HUNTSMAN PETROCHEMICAL LLC (US) 2012-04-11 CN disclosed
US-5417892-A Isethionate ether surfactant COLGATE-PALMOLIVE COMPANY (US) 1995-05-23 US disclosed
US-5319093-A Fungicides or algicides for use in paints, protective coatings wood or textile finishes HOECHST AG (DE) 1994-06-07 US disclosed
US-5252321-A Biocidal polymers and polymer dispersions, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-12 US disclosed
US-5093414-A Protective coatings for steels HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed