SCHEMBL4631638

SCHEMBL4631638

CCCCC(CC)C(=O)OC(=O)CC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.66
CA1 P00915 4/20 0.66
MAPK1 P28482 2/20 0.55
ATM Q13315 2/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NAAA Q02083 1/20 0.44
GAA P10253 1/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL240950 0.90 CA2 (0.73) CA2CA1MAPK1ATMTSHR
SCHEMBL17476745 0.89 CA2 (0.61) CA2CA1MAPK1ATMTSHR
SCHEMBL4631113 0.89 CA2 (0.61) CA2CA1MAPK1ATMTSHR
SCHEMBL29260692 0.89 CA2 (0.61) CA2CA1MAPK1ATMTSHR
SCHEMBL21828460 0.88 CA2 (0.50) CA2CA1MAPK1ATMTSHR
SCHEMBL21331329 0.88 CA2 (0.70) CA2CA1MAPK1ATMTSHR
SCHEMBL11329773 0.88 CA2 (0.70) CA2CA1MAPK1ATMTSHR
SCHEMBL11828132 0.88 CA2 (0.70) CA2CA1MAPK1ATMTSHR
SCHEMBL12611894 0.88 CA2 (0.70) CA2CA1MAPK1ATMTSHR
SCHEMBL27511222 0.88 CA2 (0.70) CA2CA1MAPK1ATMTSHR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN claimed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN claimed
EP-4384571-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED NEGATIVE BIREFRINGENT COMPENSATION FILMS HAVING IMPROVED WAVELENGTH DISPERSION Eastman Chemical Company (US) 2024-06-19 EP disclosed
CN-117794994-A Regioselectively substituted cellulose ester based negative birefringence compensation films with improved wavelength dispersion 伊士曼化工公司 2024-03-29 CN disclosed
EP-4103983-B1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED C+ COMPENSATION FILMS WITH IMPROVED WAVELENGTH DISPERSION EASTMAN CHEM CO (US) 2024-01-24 EP disclosed
CN-115087675-B Regioselectively substituted cellulose ester based negative birefringence compensation films with improved wavelength dispersion 伊士曼化工公司 2024-01-19 CN disclosed
US-20230138841-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED C+ COMPENSATION FILMS WITH IMPROVED WAVELENGTH DISPERSION EASTMAN CHEMICAL COMPANY (US) 2023-05-04 US disclosed
US-20230074167-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED NEGATIVE BIREFRINGENT COMPENSATION FILMS HAVING IMPROVED WAVELENGTH DISPERSION EASTMAN CHEMICAL COMPANY (US) 2023-03-09 US disclosed
WO-2023018604-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED NEGATIVE BIREFRINGENT COMPENSATION FILMS HAVING IMPROVED WAVELENGTH DISPERSION EASTMAN CHEMICAL COMPANY (US) 2023-02-16 WO disclosed
EP-4103983-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED C+ COMPENSATION FILMS WITH IMPROVED WAVELENGTH DISPERSION Eastman Chemical Company (US) 2022-12-21 EP disclosed
EP-4103622-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED NEGATIVE BIREFRINGENT COMPENSATION FILMS HAVING IMPROVED WAVELENGTH DISPERSION Eastman Chemical Company (US) 2022-12-21 EP disclosed
EP-4021947-A1 2-ETHYLHEXANOYL SUBSTITUTED CELLULOSE ESTERS Eastman Chemical Company (US) 2022-07-06 EP disclosed
WO-2021163121-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED C+ COMPENSATION FILMS WITH IMPROVED WAVELENGTH DISPERSION EASTMAN CHEMICAL COMPANY (US) 2021-08-19 WO disclosed
WO-2021163117-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED NEGATIVE BIREFRINGENT COMPENSATION FILMS HAVING IMPROVED WAVELENGTH DISPERSION EASTMAN CHEMICAL COMPANY (US) 2021-08-19 WO disclosed
WO-2021041018-A1 2-ETHYLHEXANOYL SUBSTITUTED CELLULOSE ESTERS EASTMAN CHEMICAL COMPANY (US) 2021-03-04 WO disclosed
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN disclosed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN disclosed
EP-1924240-A1 PERSONAL CARE PRODUCTS INCORPORATING CELLULOSIC FATTY ACID ESTERS EASTMAN CHEMICAL COMPANY (US) 2008-05-28 EP disclosed
WO-2007033252-A1 PERSONAL CARE PRODUCTS INCORPORATING CELLULOSIC FATTY ACID ESTERS EASTMAN CHEMICAL COMPANY (US) 2007-03-22 WO disclosed
US-20070053855-A1 Personal care products incorporating cellulosic fatty acid esters EASTMAN CHEMICAL COMPANY 2007-03-08 US disclosed