SCHEMBL4591332

SCHEMBL4591332

O=P(=O)[O-].O=P(=O)[O-].O=P(=O)[O-].O=P(=O)[O-].[H+].[H+].[Na+].[Na+]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
SCHEMBL2171735 1.00
SCHEMBL8826051 1.00
SCHEMBL177705 0.94
SCHEMBL3948431 0.94
SCHEMBL349339 0.94
SCHEMBL9067887 0.94
SCHEMBL49117 0.94
Water SCHEMBL441737 0.88
Water SCHEMBL4625510 0.88
Water SCHEMBL11057188 0.88

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045826-A1 Dicalcium phosphate dihydrate having improved stability and a method for preparing it MONSANTO COMPANY (US) 1982-02-17 EP claimed
US-4247526-A Method for preparing dicalcium phosphate dihydrate with improved stability MONSANTO COMPANY (US) 1981-01-27 US claimed
US-20200165450-A1 CHEMICALLY RESISTANT THERMOPLASTIC COMPOSITIONS DSM IP ASSETS BV (NL) 2020-05-28 US disclosed
US-10597534-B2 Chemically resistant thermoplastic compositions DSM IP ASSETS B.V. (NL) 2020-03-24 US disclosed
EP-1846506-B2 HEAT STABILIZED MOULDING COMPOSITION DSM IP ASSETS BV (NL) 2018-02-21 EP disclosed
US-20170298225-A1 CHEMICALLY RESISTANT THERMOPLASTIC COMPOSITIONS DSM IP ASSETS B.V. (NL) 2017-10-19 US disclosed
EP-3201273-A1 CHEMICALLY RESISTANT THERMOPLASTIC COMPOSITIONS DSM IP Assets B.V. (NL) 2017-08-09 EP disclosed
CN-106795370-A The thermoplastic compounds of chemically-resistant 帝斯曼知识产权资产管理有限公司 2017-05-31 CN disclosed
WO-2016050743-A1 CHEMICALLY RESISTANT THERMOPLASTIC COMPOSITIONS DSM IP ASSETS B.V. (NL) 2016-04-07 WO disclosed
US-8969460-B2 Heat stabilized moulding composition DSM IP ASSETS B.V. (NL) 2015-03-03 US disclosed
US-20140275385-A1 HEAT STABILIZED MOULDING COMPOSITION DSM IP ASSETS B.V. (NL) 2014-09-18 US disclosed
US-20080146717-A1 heat resistant blends of thermoplastic polyamides, stabilizer agents and metal oxides, having tensile strength for use in automobile engines, machines, or electrical and electronic apparatus DSM IP ASSETS B.V. (NL) 2008-06-19 US disclosed
EP-1846506-B1 HEAT STABILIZED MOULDING COMPOSITION DSM IP ASSETS BV (NL) 2008-06-04 EP disclosed
EP-1846506-A1 HEAT STABILIZED MOULDING COMPOSITION DSMIP Assets B.V. (NL) 2007-10-24 EP disclosed
WO-2006074934-A1 HEAT STABILIZED MOULDING COMPOSITION DSM IP ASSETS B.V. (NL) 2006-07-20 WO disclosed
EP-1681313-A1 Heat stabilized moulding composition DSM IP Assets B.V. (NL) 2006-07-19 EP disclosed
EP-0518352-B1 Process for forming super high-contrast negative images and silver halide photographic material and developer being used therefor DAINIPPON INK & CHEMICALS (JP) 1998-04-22 EP disclosed
US-5460919-A Process of forming super high-contrast negative images and silver halide photographic material and developer being used therefor DAINIPPON INK AND CHEMICALS, INC. (JP) 1995-10-24 US disclosed
US-5372911-A Support having one or more hydrophilic colloidal layers, at least one layer contains pyridinium salt or derivative, quinolinium salt or derivative, or isoquinolinium salt or derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-12-13 US disclosed
EP-0518352-A1 Process for forming super high-contrast negative images and silver halide photographic material and developer being used therefor DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-12-16 EP disclosed