SCHEMBL3869020

SCHEMBL3869020

CC(C)CC(C)C(C(=O)[O-])C(C(=O)[O-])(C(C)CC(C)C)S(=O)(=O)O.[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
Potassium Ion SCHEMBL11581382 0.77
SCHEMBL11044628 0.76
SCHEMBL796341 0.75 RNPEP (0.32)
SCHEMBL7102069 0.74
SCHEMBL7102090 0.74 CA1 (0.44)
SCHEMBL4665225 0.74 RNPEP (0.32)
SCHEMBL2992795 0.70
SCHEMBL7100586 0.70 CA2 (0.43)
SCHEMBL2957899 0.68 CA2 (0.36)
SCHEMBL4665221 0.67 CA2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170051195-A1 Surfactant Compositions CYTEC INDUSTRIES INC. (US) 2017-02-23 US claimed
EP-1673417-B1 SOLID-LIQUID SEPARATION OF OIL-BASED MUDS KEMIRA OYJ (FI) 2016-02-24 EP claimed
US-7381332-B2 Solid-liquid separation of oil-based muds KEMIRA OYJ (FI) 2008-06-03 US claimed
EP-1673417-A2 SOLID-LIQUID SEPARATION OF OIL-BASED MUDS Cytec Technology Corp. (US) 2006-06-28 EP claimed
WO-2005035934-A2 SOLID-LIQUID SEPARATION OF OIL-BASED MUDS CYTEC TECHNOLOGY CORP. (US) 2005-04-21 WO claimed
US-20050067194-A1 Solid-liquid separation of oil-based muds KEMIRA OYJ (FI) 2005-03-31 US claimed
US-6165389-A Thermally switchable optical devices UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH OF HIGHER EDUCATION (US) 2000-12-26 US claimed
US-6097530-A Method of using thermally switchable optical devices UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-08-01 US claimed
EP-3428322-B1 NICKEL ELECTROPLATING COMPOSITIONS WITH COPOLYMERS OF ARGININE AND BISEPOXIDES AND METHODS OF ELECTROPLATING NICKEL ROHM & HAAS ELECT MAT (US) 2019-08-21 EP disclosed
US-20170051195-A1 Surfactant Compositions CYTEC INDUSTRIES INC. (US) 2017-02-23 US disclosed
EP-1673417-B1 SOLID-LIQUID SEPARATION OF OIL-BASED MUDS KEMIRA OYJ (FI) 2016-02-24 EP disclosed
US-7473551-B2 For analyzing test samples containing target analytes including proteins and nucleic acids; uses a surface acoustic wave sensor in combination with a hydrogel to obtain an ultra sensitive non-fluorescent detection system ATONOMICS A/S (DK) 2009-01-06 US disclosed
US-7381332-B2 Solid-liquid separation of oil-based muds KEMIRA OYJ (FI) 2008-06-03 US disclosed
EP-1804059-A2 Surface acoustic wave sensor comprising a hydrogel Atonomics A/S (DK) 2007-07-04 EP disclosed
US-6165389-A Thermally switchable optical devices UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH OF HIGHER EDUCATION (US) 2000-12-26 US disclosed
US-6097530-A Method of using thermally switchable optical devices UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-08-01 US disclosed
US-6094273-A Crystalline colloidal array compositions UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-07-25 US disclosed
US-6014246-A Thermally switchable optical devices UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-01-11 US disclosed
US-5898004-A Polymerized crystalline colloidal array sensors UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1999-04-27 US disclosed
US-5854078-A Polymerized crystalline colloidal array sensor methods UNIVERSITY OF PITTSBURGH (US) 1998-12-29 US disclosed