SCHEMBL28165357

SCHEMBL28165357

CCCCCCOC1([O])CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
CA1 P00915 8/20 0.35
CA2 P00918 8/20 0.35
CA9 Q16790 7/20 0.35
LPAR3 Q9UBY5 3/20 0.35
CA12 O43570 3/20 0.35
CA7 P43166 3/20 0.35
CA14 Q9ULX7 3/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
NAAA Q02083 1/20 0.35
RECQL P46063 2/20 0.34
CES2 O00748 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL27451807 1.00 TSHR (0.37) TSHRCA1CA2CA9LPAR3
SCHEMBL29041347 1.00 TSHR (0.37) TSHRCA1CA2CA9LPAR3
SCHEMBL28396456 1.00 TSHR (0.37) TSHRCA1CA2CA9LPAR3
SCHEMBL28609075 0.90 TSHR (0.41) TSHRCA1CA2CA9LPAR3
SCHEMBL27569366 0.83 MEN1 (0.32) TSHR
SCHEMBL4781283 0.79 TSHR (0.35) TSHRCA1CA2CA9LPAR3
SCHEMBL4775373 0.79 TSHR (0.35) TSHRCA1CA2CA9LPAR3
SCHEMBL4780035 0.79 TSHR (0.35) TSHRCA1CA2CA9LPAR3
SCHEMBL4484737 0.78 TSHR (0.33) TSHRCA1CA2CA9LPAR3
SCHEMBL6161219 0.77 TSHR (0.36) TSHRCA1CA2CA9LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110431136-B Material for organic electroluminescent device 默克专利有限公司 2023-05-23 CN disclosed
CN-108602907-B Polymerizable composition, cured product, optical film for display, and method for producing cured product 株式会社艾迪科 2021-04-09 CN disclosed
CN-107112587-B Solid state secondary battery, solid electrolyte composition, battery electrode sheet 富士胶片株式会社 2019-03-19 CN disclosed
CN-107112587-A Solid state secondary battery, solid electrolyte composition and battery electrode sheet and battery electrode sheet and the manufacture method of solid state secondary battery for the solid state secondary battery 富士胶片株式会社 2017-08-29 CN disclosed
CN-105829454-A Dye compounds 默克专利股份有限公司 2016-08-03 CN disclosed
CN-103153998-B Material for electronic devices 默克专利有限公司 2016-08-03 CN disclosed
CN-102971319-B Bridge joint triarylamine and triaryl phosphine as the material for electronic device 默克专利有限公司 2016-08-03 CN disclosed
CN-102770427-B Material for electronic device 默克专利有限公司 2016-07-20 CN disclosed
CN-102725268-B Compounds for Electronic Devices 默克专利有限公司 2016-07-06 CN disclosed
CN-105742499-A COMPOUND FOR ELECTRONIC DEVICES 默克专利有限公司 2016-07-06 CN disclosed