Glycerin

Glycerin

SCHEMBL19656174

OCC(O)CO.[Ca+2].[OH-].[OH-]

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Glycerin. 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
Glycerin SCHEMBL28538590 0.95
Glycerin SCHEMBL28630445 0.91
Glycerin SCHEMBL21857902 0.91 LMNA (0.82)
Glycerin SCHEMBL28835091 0.91
Glycerin SCHEMBL1678248 0.91
Glycerin SCHEMBL19689532 0.91
Glycerin SCHEMBL10696736 0.91
Glycerin SCHEMBL3296195 0.91
Glycerin SCHEMBL11598367 0.91 LMNA (0.82)
Glycerin SCHEMBL28630443 0.91

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727417-B Polycyclic compound sodium salt, and polycrystalline type, preparation method and application thereof 爱博新药研发(上海)有限公司 2021-10-08 CN disclosed
CN-109761801-B Novel method for preparing ketovaline calcium 福安药业集团重庆博圣制药有限公司 2021-10-01 CN disclosed
CN-109761801-A A kind of novel preparation method of keto-valine calcium 福安药业集团重庆博圣制药有限公司 2019-05-17 CN disclosed
US-9833739-B1 Exhaust gas clean-up system for fossil fuel fired power plant MILLENIUM SYNTHFUELS CORPORATION (US) 2017-12-05 US disclosed
CN-102719320-B Production method of fatty acid diglyceride and special reactor Shandong hengxing grease co ltd 2015-01-07 CN disclosed
CN-102719320-A Production method of fatty acid diglyceride and special reactor Shandong hengxing grease co ltd 2012-10-10 CN disclosed
CN-1198659-C Pharmaceutical preparation, process for its preparation and its use in the preparation of a medicament for promoting collagen regeneration DIETZ GEORY (DE) 2005-04-27 CN disclosed
CN-1297364-A Preparation consisting of calcium hydroxide, a diol or polyol and a fixed oil of vegetable or animal origin, and use thereof for collagen regeneration GEORY DIETZ (DE) 2001-05-30 CN disclosed