SCHEMBL8780986

SCHEMBL8780986

[Al+3].[B+3].[Ca+2].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
SCHEMBL9775305 0.93
SCHEMBL1665960 0.93
SCHEMBL6702647 0.86
Zinc Ion SCHEMBL27738763 0.86
SCHEMBL27420383 0.86
SCHEMBL1286160 0.86
Fluoride Ion SCHEMBL7885058 0.86
Water SCHEMBL665585 0.86
SCHEMBL30557952 0.86
Water SCHEMBL28115292 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118021629-A Microscopic sandwich structure powder cake and preparation method thereof 上海绵花棠生物科技有限公司 2024-05-14 CN claimed
EP-0222162-B1 FLAT HEATING ELEMENTS BAYER AG (DE) 1989-11-15 EP claimed
CN-118021629-A Microscopic sandwich structure powder cake and preparation method thereof 上海绵花棠生物科技有限公司 2024-05-14 CN disclosed
CN-118021629-A Microscopic sandwich structure powder cake and preparation method thereof 上海绵花棠生物科技有限公司 2024-05-14 CN disclosed
CN-107001141-A Gypsum panels, core and its manufacture method 佐治亚-太平洋石膏有限责任公司 2017-08-01 CN disclosed
CN-106456468-A Cosmetics made in one or more colours by applying magnetic field, and method for preparation 艺术化妆品有限公司 2017-02-22 CN disclosed
EP-0624178-B1 REINFORCED MOLDING COMPOSITIONS WITH IMPROVED CRYSTALLIZATION PROPERTIES EASTMAN CHEM CO (US) 1997-04-02 EP disclosed
EP-0624179-B1 MOLDING COMPOSITION BASED ON POLY(1,4-CYCLOHEXYLENE DIMETHYLENE TEREPHTHALATE) CONTAINING A HIGH MOLECULAR WEIGHT ALIPHATIC POLYESTER EASTMAN CHEM CO (US) 1997-04-02 EP disclosed
EP-0497818-B1 POLY(1,4-CYCLOHEXYLENEDIMETHYLENE TEREPHTHALATE) WITH IMPROVED MELT STABILITY EASTMAN CHEM CO (US) 1995-09-20 EP disclosed
US-5428086-A Poly(1,4-cyclohexylenedimethylene terephthalate) with improved melt stability EASTMAN CHEMICAL COMPANY (US) 1995-06-27 US disclosed
EP-0624179-A1 REINFORCED MOLDING COMPOSITION BASED ON POLY(1,4-CYCLOHEXYLENE DIMETHYLENE TEREPHTHALATE) CONTAINING A HIGH MOLECULAR WEIGHT ALIPHATIC POLYESTER. EASTMAN CHEM CO (US) 1994-11-17 EP disclosed
US-4837254-A REINFORCING MATERIAL AND HALOGENATED FLAME RETARDANT EASTMAN KODAK COMPANY (US) 1989-06-06 US disclosed
EP-0304635-A2 Polyester molding compositions EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-03-01 EP disclosed
US-4778820-A BLEND WITH HALOGENATED AROMATIC AND ANTIMONY POWDER; FLAME-RETARDANT; PHYSICAL PROPERTIES EASTMAN KODAK COMPANY (US) 1988-10-18 US disclosed
US-4713530-A MULTILAYER-METAL SUBSTRATE, ALUMINUM BORON SILICATE INSULATING GLASS, METALLIC TRACKS, AND ZIRCONIUM PHOSPHATE AND BORON-TITANIUM OVERCOATING BAYER AKTIENGESELLSCHAFT (DE) 1987-12-15 US disclosed
US-4399244-A AN IMIDE BAYER AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed
US-4254011-A CONTAINING A TWO-PHASE CROSSLINKED POLYACRYLATE BAYER AKTIENGESELLSCHAFT (DE) 1981-03-03 US disclosed
US-4136089-A 2,2-DIETHYL-PROPANE-1,3-DIOL BAYER AKTIENGESELLSCHAFT (DE) 1979-01-23 US disclosed
US-4107149-A Poly(ethylene/alkylene) terephthalates which crystallize rapidly BAYER AKTIENGESELLSCHAFT (DE) 1978-08-15 US disclosed
US-4086212-A ESTERIFICATION OR TRANSESTERIFICATION BAYER AKTIENGESELLSCHAFT (DT) 1978-04-25 US disclosed