SCHEMBL18106926

SCHEMBL18106926

[Ca+2].[Fe+3].[La+3].[Ni+2].[O-2].[O-2].[O-2].[O-2].[O-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
SCHEMBL2181238 0.89
SCHEMBL2181544 0.89
SCHEMBL17361210 0.89
SCHEMBL4447804 0.80
SCHEMBL18106925 0.80
SCHEMBL920478 0.78
SCHEMBL50140 0.78
SCHEMBL19019958 0.78
SCHEMBL316188 0.78
SCHEMBL11612727 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178143-B1 GENERATOR ATSUMITEC KK (JP) 2016-10-05 EP disclosed
CN-101779317-B Generator ATSUMITEC KK 2013-03-20 CN disclosed
CN-101779317-A generator ATSUMITEC KK 2010-07-14 CN disclosed