SCHEMBL522113

SCHEMBL522113

CC[O-].CC[O-].[Ca+2]

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
SCHEMBL2999194 0.94
SCHEMBL2066033 0.94
SCHEMBL31031056 0.94
SCHEMBL7513165 0.94
SCHEMBL2384789 0.86 ALDH1A1 (0.30)
SCHEMBL339308 0.86
SCHEMBL105921 0.86 ALDH1A1 (0.30)
SCHEMBL20582613 0.86 ALDH1A1 (0.30)
SCHEMBL20952386 0.86 ALDH1A1 (0.30)
SCHEMBL690956 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 1975 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4574784-B1 A METHOD FOR PRODUCTING BIOACTIVE BORATE GLASSES AKADEMIA GORNICZO HUTNICZA IM STANISLAWA STASZICA W KRAKOWIE (PL) 2026-05-20 EP claimed
US-20250381550-A1 CARBON DISULFIDE TREATED MATERIALS AND METHODS OF PURIFYING FLUIDS USING THE SAME ZENITH PURIFICATION LLC (US) 2025-12-18 US claimed
US-12384884-B2 Polyimide composite material, manufacturing method thereof, and display substrate WUHAN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2025-08-12 US claimed
EP-4574784-A1 A METHOD FOR PRODUCTING BIOACTIVE BORATE GLASSES Akademia Gorniczo-Hutnicza im. Stanislawa Staszica w Krakowie (PL) 2025-06-25 EP claimed
US-12324871-B2 Absorbable iron-based alloy implanted medical device and manufacturing method thereof BIOTYX MEDICAL (SHENZHEN) CO., LTD. (CN) 2025-06-10 US claimed
EP-3702384-B1 MICROSPHERIC IONOMER HAVING CROSS-LINKING STRUCTURE, PREPARATION METHOD THEREFOR, APPLICATIONS THEREOF, AND PREPARATION SYSTEM THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2025-05-14 EP claimed
CN-119528717-A Efficient synthesis method of biomass calcium formate 河北大学 2025-02-28 CN claimed
CN-114685388-B Method for continuously synthesizing hexamethylene diisocyanate trimer 宁夏瑞泰科技股份有限公司 2024-09-03 CN claimed
CN-118373630-A Low-carbon environment-friendly high-durability concrete based on superfine powder and preparation method thereof 安徽东材材料科技有限公司 2024-07-23 CN claimed
US-11965089-B2 Microspheric ionomer having cross-linked structure, preparation method therefor, applications thereof, and preparation system thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2024-04-23 US claimed
WO-1995003348-A1 A PROCESS FOR PREPARING HYDROLYTICALLY STABLE POLY(ETHYLENE-2,6-NAPHTHALENE DICARBOXYLATE) POLYMERS EASTMAN CHEMICAL COMPANY (US) 1995-02-02 WO claimed
US-5321074-A Adding alkali metal salt in melt polymerization mixture EASTMAN CHEMICAL COMPANY (US) 1994-06-14 US claimed
EP-0539392-A1 Mixtures of polycarbonate and poly(1,4-cyclohexenedimethylene terephthalate). EASTMAN KODAK CO (US) 1993-05-05 EP claimed
US-5106944-A Using a titanium alkoxide/alkali or alkaline earth metal compound complex as catalyst EASTMAN KODAK COMPANY (US) 1992-04-21 US claimed
WO-1992001013-A1 PROCESS AND CATALYST-INHIBITOR SYSTEMS FOR PREPARING POLY(1,4-CYCLOHEXENEDIMETHYLENE TEREPHTHALATE) EASTMAN KODAK COMPANY (US) 1992-01-23 WO claimed
US-5017680-A Acetaldehyde by-product inhibition EASTMAN KODAK COMPANY (US) 1991-05-21 US claimed
US-4670498-A CONTAINING SODIUM, POTASSIUM, CALCIUM OR ALUMINUM ALCOHOLATE TOYO BOSEKI KABUSHIKI KAISHA (JP) 1987-06-02 US claimed
EP-0180970-A2 Polyester block copolymer composition Toyo Boseki Kabushiki Kaisha (JP) 1986-05-14 EP claimed
US-4051320-A PROCESS FOR PREPARING ALKOXYLATED DERIVATIVES OF CEPHALOSPORIN COMPOUNDS SANKYO COMPANY LIMITED (JA) 1977-09-27 US claimed
US-3962189-A PROCESS AND CATALYST-INHIBITOR SYSTEMS FOR PREPARING SYNTHETIC LINEAR POLYESTERS EASTMAN KODAK COMPANY (US) 1976-06-08 US claimed