SCHEMBL27635693

SCHEMBL27635693

CCCCCCCCCc1ccc(OS(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.52
THRA P10827 1/20 0.52
STS P08842 4/20 0.52
ESR1 P03372 2/20 0.51
ADRA2A P08913 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TACR2 P21452 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SHBG P04278 1/20 0.51
TP53 P04637 1/20 0.51
HSPD1 P10809 1/20 0.51
ADRB3 P13945 1/20 0.51
HTR2C P28335 1/20 0.51
HSPE1 P61604 1/20 0.51

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
SCHEMBL15672842 1.00 THRB (0.52) THRBTHRASTSESR1ADRA2A
SCHEMBL3374605 0.98 THRB (0.54) THRBTHRASTSESR1ADRA2A
SCHEMBL4062463 0.98 THRB (0.54) THRBTHRASTSESR1ADRA2A
SCHEMBL11654904 0.98 THRB (0.54) THRBTHRASTSESR1ADRA2A
SCHEMBL29240379 0.98 THRB (0.54) THRBTHRASTSESR1ADRA2A
SCHEMBL3950036 0.97 THRB (0.54) THRBTHRASTSESR1ADRA2A
Ethylene Glycol SCHEMBL28541367 0.92 ALDH1A1 (0.52) THRBTHRASTSESR1ADRA2A
SCHEMBL14015390 0.92 CA2 (0.51) THRBTHRASTSALDH1A1HSD17B10
Trimethylammonium SCHEMBL27568124 0.90 STS (0.48) THRBTHRASTSESR1ADRA2A
SCHEMBL28761163 0.86 CA2 (0.49) THRBTHRASTSESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109275661-A A kind of triggering controlled capability plant antifreeze and preparation method thereof 北京中耕绿洲生态科技有限公司 2019-01-29 CN claimed
CN-105131962-A Saline land improver and preparation method thereof UNIV CHINA AGRICULTURAL 2015-12-09 CN claimed
CN-103340197-A Slow/controlled-release microcapsule pesticide and preparation method thereof UNIV CHINA AGRICULTURAL 2013-10-09 CN claimed
CN-109275661-A A kind of triggering controlled capability plant antifreeze and preparation method thereof 北京中耕绿洲生态科技有限公司 2019-01-29 CN disclosed
CN-105131962-B A kind of alkaline land modifying agent and preparation method thereof 中国农业大学 2018-02-23 CN disclosed
CN-105131962-A Saline land improver and preparation method thereof UNIV CHINA AGRICULTURAL 2015-12-09 CN disclosed
CN-103340197-B Slow/controlled-release microcapsule pesticide and preparation method thereof UNIV CHINA AGRICULTURAL 2015-05-27 CN disclosed
CN-103340197-A Slow/controlled-release microcapsule pesticide and preparation method thereof UNIV CHINA AGRICULTURAL 2013-10-09 CN disclosed
CN-1802394-B Polyorganosiloxane-containing graft copolymer, resin composition containing the same, and method for producing polyorganosiloxane emulsion KANEGAFUCHI CHEMICAL IND 2012-05-09 CN disclosed
CN-1846165-A Liquid for electrophoretic display, display medium using the same, and display device MITSUBISHI PENCIL CO (JP) 2006-10-11 CN disclosed
CN-1816389-A Method for preparing microcapsule by miniemulsion polymerization LG ELECTRONICS INC (KR) 2006-08-09 CN disclosed