SCHEMBL5374418

SCHEMBL5374418

C=CC(=O)OC(=O)C(=C)CCCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.48
HPGD P15428 1/20 0.48
THRB P10828 3/20 0.38
CES1 P23141 2/20 0.37
CES2 O00748 1/20 0.37
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.35
THRA P10827 1/20 0.35
TP53 P04637 1/20 0.34
ATM Q13315 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
CA1 P00915 1/20 0.33
FAAH O00519 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
SCHEMBL1061914 0.95 TSHR (0.47) TSHRHPGDTHRBCES1CES2
SCHEMBL9640893 0.93 TSHR (0.46) TSHRHPGDTHRBCES1CES2
SCHEMBL9651226 0.93 TSHR (0.46) TSHRHPGDTHRBCES1CES2
SCHEMBL22829694 0.89 TSHR (0.42) TSHRHPGDTHRBCES1CES2
SCHEMBL1898433 0.89 ATM (0.45) TSHRHPGDCES1CES2ALDH1A1
SCHEMBL6916133 0.84 CES1 (0.46) TSHRCES1CES2ALDH1A1TP53
SCHEMBL3242466 0.83 TSHR (0.61) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL11357043 0.83 TSHR (0.41) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1140090 0.82 PAOX (0.38) TSHRHPGDALDH1A1CYP3A4
Acrylic Acid Methyl Ester SCHEMBL28288391 0.82 TSHR (0.46) TSHRHPGDTHRBCES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040037947-A1 Document security processes XEROX CORPORATION 2004-02-26 US claimed
US-6673500-B1 Document security processes XEROX CORPORATION 2004-01-06 US claimed
CN-115135677-A Compound and polymer composition containing the same 三菱化学株式会社 2022-09-30 CN disclosed
CN-101844993-B Photo-curing monomer with ortho-phenolic hydroxyl structure, preparation method and bond thereof UNIV BEIJING CHEMICAL 2013-08-14 CN disclosed
CN-102695491-A Perfumes and perfume encapsulates PROCTER & GAMBLE 2012-09-26 CN disclosed
CN-101844993-A Photo-curing monomer with ortho-phenolic hydroxyl structure, preparation method and bond thereof UNIV BEIJING CHEMICAL 2010-09-29 CN disclosed
US-7217484-B2 Toners and processes thereof XEROX CORPORATION (US) 2007-05-15 US disclosed
US-20060194134-A1 Toners and processes thereof XEROX CORPORATION 2006-08-31 US disclosed
US-7052730-B2 Document security processes XEROX CORPORATION (US) 2006-05-30 US disclosed
US-7052818-B2 Toners and processes thereof XEROX CORPORATION (US) 2006-05-30 US disclosed
US-20050136350-A1 Toners and processes thereof XEROX CORPORATION 2005-06-23 US disclosed
US-5501935-A Toner aggregation processes XEROX CORPORATION (US) 1996-03-26 US disclosed
US-5496676-A Toner aggregation processes XEROX CORPORATION (US) 1996-03-05 US disclosed
US-5482812-A Wax Containing toner aggregation processes XEROX CORPORATION (US) 1996-01-09 US disclosed
US-5441816-A Superstrate comprising vinyl chloride polymer, butyl acrylate rubber graft polymer, titanium dioxide; substrate comprising vinyl chloride polymer, butadiene rubber graft polymer, titanium dioxide; outdoor construction materials GENERAL ELECTRIC COMPANY (US) 1995-08-15 US disclosed
EP-0631197-A1 Toner processes XEROX CORPORATION (US) 1994-12-28 EP disclosed
EP-0631195-A1 Toner aggregation processes XEROX CORPORATION (US) 1994-12-28 EP disclosed
US-5370964-A Shearing polymeric latex mixture containing surfactants; heating XEROX CORPORATION (US) 1994-12-06 US disclosed
US-5364729-A Toner aggregation processes XEROX CORPORATION (US) 1994-11-15 US disclosed
US-5344738-A Process of making toner compositions XEROX CORPORATION (US) 1994-09-06 US disclosed