SCHEMBL3962937

SCHEMBL3962937

[Al].[Ca+2].[H-].[H-]

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
SCHEMBL28013365 0.82
SCHEMBL28344824 0.82
SCHEMBL2465866 0.82
SCHEMBL716265 0.82
SCHEMBL20375 0.82
SCHEMBL30232655 0.82
SCHEMBL2774956 0.82
SCHEMBL184679 0.82
SCHEMBL11969921 0.82
Water SCHEMBL25301078 0.67

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
EP-1832595-B1 Compounds of mono-carboxyl functionalised dialkylphosphine acid salts and other components, a method for their manufacture and their application CLARIANT FINANCE BVI LTD (VG) 2009-07-15 EP disclosed
EP-1958950-A1 Process for the preparation of dialkylphosphinic acid salts Clariant Produkte (Deutschland) GmbH (DE) 2008-08-20 EP disclosed
EP-1544205-B1 Process for the preparation of dialkylphosphinic acid salts CLARIANT PRODUKTE DEUTSCHLAND (DE) 2008-06-04 EP disclosed
EP-1832595-A1 Compounds of mono-carboxyl functionalised dialkylphosphine acid salts and other components, a method for their manufacture and their application CLARIANT INTERNATIONAL LTD. (CH) 2007-09-12 EP disclosed
EP-1749796-A1 Method for generating hydrogen gas Air Products and Chemicals, Inc. (US) 2007-02-07 EP disclosed
US-20070020174-A1 Method for generating hydrogen gas AIR PRODUCTS AND CHEMICALS, INC. 2007-01-25 US disclosed
EP-1586619-A2 Phosphorous containing flame retardants for cellulose containing materials Clariant GmbH (DE) 2005-10-19 EP disclosed
EP-1544205-A1 Process for the preparation of dialkylphosphinic acid salts Clariant GmbH (DE) 2005-06-22 EP disclosed