SCHEMBL5053871

SCHEMBL5053871

CC(O)OC(=O)/C=C/C(=O)OC(C)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.54
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CA12 O43570 1/20 0.36
AKR1B10 O60218 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
AKR1B1 P15121 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL6835137 1.00 HCAR2 (0.54) HCAR2KEAP1NFE2L2CA12AKR1B10
SCHEMBL2911353 1.00 HCAR2 (0.54) HCAR2KEAP1NFE2L2CA12AKR1B10
SCHEMBL7262709 0.90 HCAR2 (0.62) HCAR2KEAP1NFE2L2CA12AKR1B10
SCHEMBL27341759 0.90 HCAR2 (0.71) HCAR2KEAP1NFE2L2TSHRTP53
SCHEMBL7262707 0.90 HCAR2 (0.62) HCAR2KEAP1NFE2L2CA12AKR1B10
SCHEMBL2486215 0.90 HCAR2 (0.71) HCAR2KEAP1NFE2L2TSHRTP53
SCHEMBL2486211 0.90 HCAR2 (0.71) HCAR2KEAP1NFE2L2TSHRTP53
SCHEMBL4866839 0.87
SCHEMBL4866847 0.87
SCHEMBL8416536 0.86 HCAR2 (0.43) HCAR2KEAP1NFE2L2CA12AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106467512-B Asitinib fumarate and crystal form and preparation method thereof 浙江九洲药业股份有限公司 2022-03-11 CN claimed
EP-0493320-B1 Fluorine and/or Silicone containing poly(alkylene-oxide)-block copolymer hydrogels and contact lenses thereof CIBA GEIGY AG (CH) 1996-07-31 EP claimed
EP-0406161-B1 Fluorine and/or silicone containing poly(alkylene-oxide)-block copolymers and contact lenses thereof CIBA GEIGY AG (CH) 1995-02-22 EP claimed
WO-2025052819-A1 LAMINATED FILM 東レ株式会社 2025-03-13 WO disclosed
CN-115141551-B Pressure-sensitive adhesive sheet 索马龙株式会社 2024-11-12 CN disclosed
WO-2024005149-A1 CONDUCTIVE RESIN COMPOSITION 株式会社スリーボンド 2024-01-04 WO disclosed
CN-116948553-A Pressure-sensitive adhesive sheet 索马龙株式会社 2023-10-27 CN disclosed
CN-115141551-A Adhesive sheet 索马龙株式会社 2022-10-04 CN disclosed
CN-114656602-A Prepolymer for polymer polyol and preparation method thereof 万华化学集团股份有限公司 2022-06-24 CN disclosed
CN-114644733-A Preparation method of polymer polyol 万华化学集团股份有限公司 2022-06-21 CN disclosed
CN-109385233-B Adhesive composition for protective film and protective film 日本电石工业株式会社 2022-05-03 CN disclosed
WO-1993012183-A1 AQUEOUS DISPERSION OF COMPOSITE PARTICLES INCLUDING POLYMERIC LATEX ROHM AND HAAS COMPANY (US) 1993-06-24 WO disclosed
WO-1993011183-A1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION ROHM AND HAAS COMPANY (US) 1993-06-10 WO disclosed
WO-1993011181-A1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION INCLUDING POLYMERIC LATEX AND TITANIUM DIOXIDE PIGMENT EMMONS WILLIAM D (US) 1993-06-10 WO disclosed
US-4652605-A Preparation of low molecular weight polymers by vinyl addition polymerization under dilute reaction conditions using a polymeric diluent PPG INDUSTRIES, INC. (US) 1987-03-24 US disclosed
US-4454296-A POLYURETHANE COATINGS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-06-12 US disclosed
EP-0021067-B1 TRIISOCYANATES, A PROCESS FOR THEIR PRODUCTION, THEIR USE FOR THE PRODUCTION OF POLYURETHANES AND A COATING COMPOSITION COMPRISING THESE POLYURETHANES Takeda Chemical Industries, Ltd. (JP) 1983-01-26 EP disclosed
US-4338256-A Triisocyanates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-07-06 US disclosed
EP-0021067-A1 Triisocyanates, a process for their production, their use for the production of polyurethanes and a coating composition comprising these polyurethanes Takeda Chemical Industries, Ltd. (JP) 1981-01-07 EP disclosed
US-4113705-A Triisocyanates useful for the production of polyurethane resins BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 US disclosed