SCHEMBL17785151

SCHEMBL17785151

[Al+3].[Ca+2].[Mg+2].[Na+].[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
Water SCHEMBL223570 0.94
Water SCHEMBL6248050 0.88
SCHEMBL15757391 0.87
SCHEMBL11857455 0.87
SCHEMBL35479 0.87
SCHEMBL2185198 0.87
SCHEMBL29216 0.87
SCHEMBL9775305 0.87
SCHEMBL1665960 0.87
Water SCHEMBL223619 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110072508-B Aluminum-free antiperspirant/deodorant compositions 高露洁-棕榄公司 2022-04-12 CN claimed
US-11147755-B2 Aluminum-free antiperspirant / deodorant compositions COLGATE-PALMOLIVE COMPANY (US) 2021-10-19 US claimed
EP-3538054-B1 ALUMINUM-FREE ANTIPERSPIRANT/DEODORANT COMPOSITIONS COLGATE PALMOLIVE CO (US) 2021-03-10 EP claimed
CN-110668790-A Paving brick and internal combustion sleeve firing manufacturing method 吉林省建筑材料工业设计研究院 2020-01-10 CN claimed
EP-3538054-A1 ALUMINUM-FREE ANTIPERSPIRANT/DEODORANT COMPOSITIONS Colgate-Palmolive Company (US) 2019-09-18 EP claimed
WO-2018111705-A1 ALUMINUM-FREE ANTIPERSPIRANT/DEODORANT COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2018-06-21 WO claimed
CN-110072508-B Aluminum-free antiperspirant/deodorant compositions 高露洁-棕榄公司 2022-04-12 CN disclosed
US-11147755-B2 Aluminum-free antiperspirant / deodorant compositions COLGATE-PALMOLIVE COMPANY (US) 2021-10-19 US disclosed
EP-3538054-B1 ALUMINUM-FREE ANTIPERSPIRANT/DEODORANT COMPOSITIONS COLGATE PALMOLIVE CO (US) 2021-03-10 EP disclosed
CN-110668790-A Paving brick and internal combustion sleeve firing manufacturing method 吉林省建筑材料工业设计研究院 2020-01-10 CN disclosed
EP-3538054-A1 ALUMINUM-FREE ANTIPERSPIRANT/DEODORANT COMPOSITIONS Colgate-Palmolive Company (US) 2019-09-18 EP disclosed
WO-2018111705-A1 ALUMINUM-FREE ANTIPERSPIRANT/DEODORANT COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2018-06-21 WO disclosed
EP-3223778-A1 COSMETIC COMPOSITION COMPRISING A SYNTHETIC PHYLLOSILICATE AND AN ELECTROLYTE AND/OR A POLYELECTROLYTE L'Oréal (FR) 2017-10-04 EP disclosed
WO-2016083418-A1 COSMETIC COMPOSITION COMPRISING A SYNTHETIC PHYLLOSILICATE AND AN ELECTROLYTE AND/OR A POLYELECTROLYTE L'OREAL (FR) 2016-06-02 WO disclosed
CN-103127904-B For removing the LNS pottery of radioactive material contamination and anti-oxidant water REDENT NOVA LTD. (JP) 2015-11-04 CN disclosed
CN-103127904-A LNS ceramics and antioxidant water for removing pollution of radioactive substances REDENT NOVA LTD 2013-06-05 CN disclosed