SCHEMBL1889336

SCHEMBL1889336

O=C([O-])C(Cl)(Cl)CCl.[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
SCHEMBL1879743 0.72
SCHEMBL10712669 0.71 TSHR (0.33)
SCHEMBL5354734 0.71
SCHEMBL9321569 0.71
Trichloroacetic Acid SCHEMBL60578 0.70
Trichloroacetic Acid SCHEMBL10755500 0.70 ALDH1A1 (0.47)
SCHEMBL3055240 0.69
SCHEMBL134598 0.69
SCHEMBL19893762 0.69
SCHEMBL28601159 0.67 CA4 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012363-B2 Granular controlled release agrochemical compositions and process for the preparation thereof EVERRIS INTERNATIONAL B.V. (NL) 2015-04-21 US disclosed
EP-1928231-B1 GRANULAR CONTROLLED RELEASE AGROCHEMICAL COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF EVERRIS INTERNAT B V (NL) 2014-03-12 EP disclosed
US-20130310255-A1 GRANULAR CONTROLLED RELEASE AGROCHEMICAL COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF OMS INVESTMENTS, INC. 2013-11-21 US disclosed
US-8497229-B2 Granular controlled release agrochemical compositions and process for the preparation thereof EVERRIS INTERNATIONAL B.V. (NL) 2013-07-30 US disclosed
EP-2545775-A2 Granular controlled release agrochemical compositions and process for the preparation thereof Everris International B.V. (NL) 2013-01-16 EP disclosed
EP-1370135-B1 CONTROLLED RELEASE PRODUCTS AND PROCESSES FOR THE PREPARATION THEREOF EVERRIS INTERNAT B V (NL) 2012-05-30 EP disclosed
US-20110111956-A1 Granular Controlled Release Agrochemical Compositions and Process for the Preparation Thereof OMS INVESTMENTS, INC. (US) 2011-05-12 US disclosed
EP-1928231-A2 GRANULAR CONTROLLED RELEASE AGROCHEMICAL COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF OMS Investments, Inc. (US) 2008-06-11 EP disclosed
WO-2007041234-A2 GRANULAR CONTROLLED RELEASE AGROCHEMICAL COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF OMS INVESTMENTS, INC. (US) 2007-04-12 WO disclosed
US-20070072775-A1 Granular controlled release agrochemical compositions and process for the preparation thereof OMS INVESTMENTS, INC. (US) 2007-03-29 US disclosed
US-6987082-B2 Controlled release products and processes for the preparation thereof OMS INVESTMENTS, INC. (US) 2006-01-17 US disclosed
US-20040069033-A1 Controlled release products and processes for the preparation thereof OMS INVESTMENTS, INC. 2004-04-15 US disclosed
EP-1370135-A1 CONTROLLED RELEASE PRODUCTS AND PROCESSES FOR THE PREPARATION THEREOF OMS Investments, Inc. (US) 2003-12-17 EP disclosed
US-6656882-B2 Coated products in particulate form which are structured to provide release profiles wherein initial release of active ingredients such as fertilizer nutrients is suppressed or for predetermined period and longevity for release within 60 days OMS INVESTMENTS, INC. 2003-12-02 US disclosed
US-20020168318-A1 Controlled release products and processes for the preparation thereof OMS INVESTMENTS, INC. 2002-11-14 US disclosed
WO-2002068363-A2 CONTROLLED RELEASE PRODUCTS AND PROCESSES FOR THE PREPARATION THEREOF OMS INVESTMENTS, INC. (US) 2002-09-06 WO disclosed
EP-0628527-B1 Timed release of water-soluble plant nutrients OMS INVESTMENTS INC (US) 2001-04-11 EP disclosed
US-5652196-A Timed release of water-soluble plant nutrients OMS INVESTMENTS, INC. (US) 1997-07-29 US disclosed
EP-0628527-A1 Timed release of water-soluble plant nutrients W.R. Grace & Co.-Conn. (US) 1994-12-14 EP disclosed
US-4015970-A FERTILIZER WITH POLYMERIC COATING AIRWICK INDUSTRIES, INC. (US) 1977-04-05 US disclosed