SCHEMBL356866

SCHEMBL356866

NCCNCC(=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
SCHEMBL1305256 1.00 MAOA (0.45)
Ethylenediamine SCHEMBL8853631 0.98 MAOA (0.43)
SCHEMBL5598890 0.95 MAOA (0.45)
SCHEMBL11113094 0.89 MAOA (0.61)
Ammonia Solution, Strong SCHEMBL10780673 0.89 CA12 (0.48)
Edetic Acid SCHEMBL8726325 0.84 ALOX15 (0.48)
SCHEMBL11677216 0.84 CA4 (0.45)
SCHEMBL1355989 0.84 CA4 (0.50)
SCHEMBL6700396 0.83 CA12 (0.48)
Edetic Acid SCHEMBL2112976 0.80 ALOX15 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114517051-B Aqueous polyurethane-urea dispersion, preparation method and application thereof 万华化学集团股份有限公司 2023-12-19 CN claimed
CN-116715828-A Water-based polyurethane-urea dispersion with enhanced hydrogen bond and ion interaction, and preparation method and application thereof 万华化学集团股份有限公司 2023-09-08 CN claimed
CN-114517051-A Waterborne polyurethane-urea dispersion, preparation method and application thereof 万华化学集团股份有限公司 2022-05-20 CN claimed
CN-114517051-B Aqueous polyurethane-urea dispersion, preparation method and application thereof 万华化学集团股份有限公司 2023-12-19 CN disclosed
EP-3643302-B1 COMPOSITION CONTAINING SESQUITERPENE DERIVATIVE AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF MUSCLE DISEASES UNIV YONSEI IACF (KR) 2023-09-20 EP disclosed
CN-116715828-A Water-based polyurethane-urea dispersion with enhanced hydrogen bond and ion interaction, and preparation method and application thereof 万华化学集团股份有限公司 2023-09-08 CN disclosed
US-11576875-B2 Composition comprising ethyl vanillin as effective ingredient for exhibiting effect of muscle strengthening, muscle enhancement, muscle differentiation, muscle regeneration, or sarcopenia suppression INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2023-02-14 US disclosed
CN-114517051-A Waterborne polyurethane-urea dispersion, preparation method and application thereof 万华化学集团股份有限公司 2022-05-20 CN disclosed
EP-3574060-B1 EXTENDED SEALING GELS, PROCESS FOR PRODUCTION THEREOF AND USE THEREOF IN SEALING COMPOUNDS FOR SELF-SEALING TYRES ARLANXEO DEUTSCHLAND GMBH (DE) 2021-12-22 EP disclosed
US-20210369640-A1 COMPOSITION CONTAINING SESQUITERPENE DERIVATIVE AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF MUSCLE DISEASES INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2021-12-02 US disclosed
US-11020915-B2 Extended sealing gels, process for production therof and use therof in sealing compounds for self-sealing tyres ARLANXEO DEUTSCHLAND GMBH (DE) 2021-06-01 US disclosed
US-20120015058-A1 PERFUME AND COSMETIC COMPOSITION WITH ANTI-STRESS AND RELAXING EFFECT AMOREPACIFIC CORPORATION (KR) 2012-01-19 US disclosed
WO-2010104301-A2 COSMETIC COMPOSITION FOR SKIN MOISTURIZING AMOREPACIFIC CORPORATION (KR) 2010-09-16 WO disclosed
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed
US-5919291-A LIQUID EXTRACTED FROM AT LEAST ONE TYPE OF MALVACEAE, ORCHIDACEAE AND ALOE IS USED AS THE WATER-SOLUBLE FUNGUSPROOFING AGENT. MINOLTA CO., LTD. (JP) 1999-07-06 US disclosed
CN-1090302-A The mixture of monoene unsaturated carboxylic acid polymer and/or polyaminocarboxylic acid and application thereof BASF AG (DE) 1994-08-03 CN disclosed
US-4931509-A EPOXY-CONTAINING MONOMER; EXCELLENT VULCANIZING WITH UREAS, QUATERNARY AMMONIUM AND PHOSPHONIUM SALTS AND POLYCARBOXYLIC ACIDS OR ANHYDRIDES NIPPON ZEON CO., LTD. (JP) 1990-06-05 US disclosed