SCHEMBL2946746

SCHEMBL2946746

COC(=O)CC#CCC(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
HSD17B10 Q99714 2/20 0.48
MGAM O43451 2/20 0.48
GAA P10253 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
KMT2A Q03164 2/20 0.39
TET2 Q6N021 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 3/20 0.37
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSP90AB1 P08238 1/20 0.34
TP53 P04637 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
SCHEMBL5411373 0.89
SCHEMBL26186915 0.88 TSHR (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL966377 0.87
SCHEMBL711034 0.86
SCHEMBL2946724 0.85 GAA (0.54) TSHRHSD17B10MGAMGAASI
SCHEMBL11847641 0.84
SCHEMBL966997 0.84
SCHEMBL16917011 0.83 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL16289051 0.83 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL16917010 0.83 TSHR (0.39) TSHRHSD17B10MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126090-A Impurity removal method for 5,6-trans impurities in calcitol bulk drug 正大制药(青岛)有限公司 2023-11-28 CN claimed
CN-116874438-A One-pot method for preparing polysubstituted 1,2, 3-triazole compound 大连理工大学 2023-10-13 CN claimed
CN-113913024-B Addition type liquid silicone rubber, vulcanized rubber and preparation method thereof 南通万德科技有限公司 2023-05-30 CN claimed
CN-117126090-A Impurity removal method for 5,6-trans impurities in calcitol bulk drug 正大制药(青岛)有限公司 2023-11-28 CN disclosed
CN-116874438-A One-pot method for preparing polysubstituted 1,2, 3-triazole compound 大连理工大学 2023-10-13 CN disclosed
CN-116874438-A One-pot method for preparing polysubstituted 1,2, 3-triazole compound 大连理工大学 2023-10-13 CN disclosed
CN-114573794-B Conjugated polymer and organic photovoltaic element 位速科技股份有限公司 2023-09-15 CN disclosed
CN-109641864-B Anti-infective agents 邓迪大学 2023-04-04 CN disclosed
CN-115894515-A Method for integrated extraction, enrichment, separation and purification of effective components of ginkgo leaves in full industrial chain 李玉山 2023-04-04 CN disclosed
CN-110698481-B Heteroaryl pyridone and aza-pyridone amide compounds 豪夫迈·罗氏有限公司 2023-02-28 CN disclosed
CN-114573794-A Conjugated polymer and organic photovoltaic element 位速科技股份有限公司 2022-06-03 CN disclosed
CN-111018866-B Cheap and efficient preparation method of benzene triacyl imide and derivatives thereof 中国科学院化学研究所 2021-02-12 CN disclosed
CN-111018866-A Cheap and efficient preparation method of benzene triacyl imide and derivatives thereof 中国科学院化学研究所 2020-04-17 CN disclosed
US-7727677-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
EP-1758198-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES (JP) 2009-07-08 EP disclosed
CN-100502135-C Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2009-06-17 CN disclosed
US-20080038644-A1 Nonaques Electrolyte Solution And Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
CN-1961452-A Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2007-05-09 CN disclosed
EP-1758198-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2007-02-28 EP disclosed