SCHEMBL4861386

SCHEMBL4861386

C=CCNCC(=O)[O-].[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 SCHEMBL7184520 0.95
Lithium Ion SCHEMBL19032770 0.95
SCHEMBL170069 0.82 BBOX1 (0.46)
SCHEMBL8134939 0.77 TSHR (0.41)
SCHEMBL30998842 0.76 CA4 (0.56)
SCHEMBL284370 0.76 CA4 (0.56)
SCHEMBL3946913 0.75 MAPT (0.44)
SCHEMBL29438 0.75
SCHEMBL30917295 0.73 CA4 (0.53)
Water SCHEMBL10705905 0.73 CA4 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-85108347-A Plant growth regulator 1986-06-10 CN claimed
EP-0181494-A1 Plant growth regulation agent MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1986-05-21 EP claimed
CN-112221718-B Collecting agent applied to normal-temperature alkali-free flotation of collophanite and preparation method thereof 宜都兴发化工有限公司 2022-06-03 CN disclosed
CN-112221718-A Collecting agent applied to normal-temperature alkali-free flotation of collophanite and preparation method thereof 宜都兴发化工有限公司 2021-01-15 CN disclosed
US-20150147369-A1 Personal Care Compositions That Deposit Solid Hydrophilic Benefit Agents PROCTER & GAMBLE (US) 2015-05-28 US disclosed
US-20130259913-A1 PARTICLES AND PARTICLE GAS SATURATED SOLUTION PROCESSES FOR MAKING SAME THE PROCTER & GAMBLE COMPANY 2013-10-03 US disclosed
WO-2012141946-A1 PARTICLES AND PARTICLE GAS SATURATED SOLUTION PROCESSES FOR MAKING SAME THE PROCTER & GAMBLE COMPANY (US) 2012-10-18 WO disclosed
US-8263058-B2 Personal care compositions that deposit hydrophilic benefit agents THE PROCTER & GAMBLE COMPANY (US) 2012-09-11 US disclosed
US-20080031845-A1 Personal care compositions that deposit hydrophilic benefit agents STELLA QING 2008-02-07 US disclosed
US-20080033058-A1 Personal care compositions that deposit hydrophilic benefit agents STELLA QING 2008-02-07 US disclosed
EP-1744816-A1 PERSONAL CARE COMPOSITIONS THAT DEPOSIT HYDROPHILIC BENEFIT AGENTS The Procter and Gamble Company (US) 2007-01-24 EP disclosed
WO-1995011000-A1 NON-SWEATING LIPSTICKS THE PROCTER & GAMBLE COMPANY (US) 1995-04-27 WO disclosed
WO-1994028860-A1 COSMETIC MAKE-UP COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1994-12-22 WO disclosed
WO-1994006400-A1 LIPSTICKS THE PROCTER & GAMBLE COMPANY (US) 1994-03-31 WO disclosed
EP-0313304-A2 Photoprotection compositions comprising tocopherol sorbate THE PROCTER & GAMBLE COMPANY (US) 1989-04-26 EP disclosed
EP-0290292-A2 Bleaching compounds and compositions comprising fatty peroxyacids salts thereof and precursors therefor having amide moieties in the fatty chain THE PROCTER & GAMBLE COMPANY (US) 1988-11-09 EP disclosed
EP-0260134-A2 Fatty peroxyacids or salts thereof having amide moieties in the fatty chain and low levels of exotherm control agents and detergent compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 1988-03-16 EP disclosed
EP-0195663-A2 Bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1986-09-24 EP disclosed
CN-85108347-A Plant growth regulator 1986-06-10 CN disclosed
EP-0181494-A1 Plant growth regulation agent MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1986-05-21 EP disclosed