SCHEMBL306505

SCHEMBL306505

C=CC(=O)CC(=O)CC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL27694677 0.80 TSHR (0.50)
SCHEMBL290398 0.80
SCHEMBL128924 0.77
SCHEMBL4242070 0.77 TSHR (1.00)
SCHEMBL4816091 0.77 ALDH1A1 (0.46)
SCHEMBL28769030 0.77 ALDH1A1 (0.59)
SCHEMBL31061423 0.77 TSHR (0.46)
SCHEMBL22319324 0.75 HAO1 (0.52)
Hydrogen Sulfide SCHEMBL23406579 0.75 TSHR (0.94)
SCHEMBL30074426 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874121-B Method for preparing substance containing monothiocarbonate group and product 浙江大学 2023-10-03 CN claimed
CN-114874121-A Method for preparing material containing monothiocarbonate group and product 浙江大学 2022-08-09 CN claimed
CN-112010931-B curcumin-4-O-acetyl-Arg-Gly-Asp-Ser strontium salt, and synthesis, activity and application thereof 首都医科大学 2022-08-05 CN claimed
CN-112010932-B curcumin-4-O-acetyl-Arg-Gly-Asp-Val strontium salt, and synthesis, activity and application thereof 首都医科大学 2022-08-05 CN claimed
CN-112010933-B curcumin-4-O-acetyl-Arg-Gly-Asp-Phe strontium salt, and synthesis, activity and application thereof 首都医科大学 2022-08-02 CN claimed
CN-109134595-B Theanyl amino acid benzyl ester modified curcumin, and synthesis, activity and application thereof 首都医科大学 2022-02-08 CN claimed
CN-117771223-A Use of compounds or pharmaceutically acceptable derivatives thereof for inhibiting AIM2 protein activity 孙良丹 2024-03-29 CN disclosed
CN-114874121-B Method for preparing substance containing monothiocarbonate group and product 浙江大学 2023-10-03 CN disclosed
CN-116157121-A Combination anticancer products and methods 安科生命科学有限公司 2023-05-23 CN disclosed
CN-112010931-B curcumin-4-O-acetyl-Arg-Gly-Asp-Ser strontium salt, and synthesis, activity and application thereof 首都医科大学 2022-08-05 CN disclosed
CN-112004845-B Resin composition, laminate, semiconductor wafer with resin composition layer, substrate, and semiconductor device 三菱瓦斯化学株式会社 2022-05-31 CN disclosed
WO-2022090877-A1 METAL COMPLEXES OF DIARYLHEPTANOIDS AND ITS DERIVATIVES ARJUNA NATURAL PRIVATE LIMITED (IN) 2022-05-05 WO disclosed
CN-109134595-B Theanyl amino acid benzyl ester modified curcumin, and synthesis, activity and application thereof 首都医科大学 2022-02-08 CN disclosed
US-6037384-A POLYLACTONE AND POLYMERIZATION CATALYST DEACTIVATOR; BIODEGRADABLE, STORAGE STABILITY, HEAT RESISTANCE, IMPACT STRENGTH, MOLDABILITY; PACKAGING, INSULATION, CUSHIONS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-03-14 US disclosed
US-5955529-A POLYESTER WITH UNITS FROM LACTIC ACID, DICARBOXYLIC ACIDS AND DIOLS; CALCIUM PHOSPHATE-BASED COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-09-21 US disclosed
EP-0581504-B1 Self-adhering silicone rubber with low compression set DOW CORNING (US) 1999-05-06 EP disclosed
US-5844066-A Process for the preparation of lactic acid-based polyester DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-12-01 US disclosed
US-5686540-A Process for the preparation of lactic acid-based polyester DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-11-11 US disclosed
EP-0765913-A1 Process for the preparation of lactic acid-based polyester compositions DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-04-02 EP disclosed
US-5248715-A Adhesion to plastics and metals, gaskets, polysiloxanes, hydrosilation DOW CORNING CORPORATION (US) 1993-09-28 US disclosed