SCHEMBL534732

SCHEMBL534732

NS(=O)(=O)OCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CA2 P00918 18/20 0.50
CA1 P00915 16/20 0.50
CA9 Q16790 15/20 0.50
CA12 O43570 3/20 0.48
CA3 P07451 3/20 0.48
CA4 P22748 3/20 0.48
CA6 P23280 3/20 0.48
CA5A P35218 3/20 0.48
CA7 P43166 3/20 0.48
CA14 Q9ULX7 3/20 0.48
CA5B Q9Y2D0 3/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL27498971 1.00 MEN1 (0.52) MEN1KMT2ACA2CA1CA9
SCHEMBL629181 0.85
SCHEMBL22638678 0.80 MEN1 (0.58) MEN1KMT2ATSHRMAPK1
Di(Hydroxyethyl)Ether SCHEMBL28472606 0.79 TSHR (0.59) MEN1KMT2ACA2CA1CA9
SCHEMBL11338633 0.79 CA2 (0.75) CA2CA1CA9CA12CA3
SCHEMBL31104852 0.78 MEN1 (0.55) MEN1KMT2ACA2TSHRMAPK1
SCHEMBL16678645 0.78 MEN1 (0.55) MEN1KMT2ACA2TSHRMAPK1
SCHEMBL31104690 0.78 MEN1 (0.55) MEN1KMT2ACA2TSHRMAPK1
SCHEMBL22075682 0.78 MEN1 (0.55) MEN1KMT2ACA2TSHRMAPK1
SCHEMBL2027888 0.78 MEN1 (0.55) MEN1KMT2ACA2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111825624-B Ester-water amphiphilic hypocrellin derivative and preparation method and application thereof 中国科学院理化技术研究所 2021-07-27 CN disclosed
CN-107935943-B Ester-water amphiphilic hypocrellin derivative and preparation method and application thereof 中国科学院理化技术研究所 2021-06-29 CN disclosed
CN-111825624-A Ester-water amphiphilic hypocrellin derivative and preparation method and application thereof 中国科学院理化技术研究所 2020-10-27 CN disclosed
EP-2414417-A1 POLYURETHANE DISPERSION, METHOD OF PRODUCING THE SAME, COATED ARTICLES, AND METHOD FOR COATING ARTICLES Dow Global Technologies LLC (US) 2012-02-08 EP disclosed
EP-2294485-A1 IMAGE FORMING TONER, IMAGE FORMING APPARATUS, IMAGE FORMING METHOD, AND PROCESS CARTRIDGE Ricoh Company, Ltd. (JP) 2011-03-16 EP disclosed
WO-2010117838-A1 POLYURETHANE DISPERSION, METHOD OF PRODUCING THE SAME, COATED ARTICLES, AND METHOD FOR COATING ARTICLES DOW GLOBAL TECHNOLOGIES INC. (US) 2010-10-14 WO disclosed
WO-2010001770-A1 IMAGE FORMING TONER, IMAGE FORMING APPARATUS, IMAGE FORMING METHOD, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2010-01-07 WO disclosed