SCHEMBL18301024

SCHEMBL18301024

[Ca+2].[Ca+2].[HH].[N-3]

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
SCHEMBL2465867 0.82
SCHEMBL72754 0.82
SCHEMBL4859997 0.82
Water SCHEMBL5665361 0.67
SCHEMBL2158971 0.67
Potassium Ion SCHEMBL4098374 0.67
SCHEMBL6009854 0.67
SCHEMBL5383639 0.67
Lithium Ion SCHEMBL4307118 0.67
Lithium Ion SCHEMBL14762041 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
CN-106163658-B Supported metal catalyst and ammonia synthesis method using the same 国立研究开发法人科学技术振兴机构 2019-03-15 CN disclosed
US-10173202-B2 Supported metal catalyst and method of synthesizing ammonia using the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2019-01-08 US disclosed
US-10118162-B2 2018-11-06 US disclosed
EP-3156126-A1 SUPPORT METAL CATALYST AND METHOD FOR SYNTHESIZING AMMONIA USING SAME CATALYST Japan Science and Technology Agency (JP) 2017-04-19 EP disclosed
US-20160361712-A1 SUPPORTED METAL CATALYST AND METHOD OF SYNTHESIZING AMMONIA USING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2016-12-15 US disclosed
CN-106163658-A Supported metal catalyst and ammonia synthesis method using the same 国立研究开发法人科学技术振兴机构 2016-11-23 CN disclosed
CN-101896421-B A hydrogen storage material and a process for release of hydrogen UNIV SINGAPORE 2013-11-06 CN disclosed
CN-101896421-A A hydrogen storage material and a process for release of hydrogen UNIV SINGAPORE 2010-11-24 CN disclosed