SCHEMBL21832235

SCHEMBL21832235

NCCNS(=O)(=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
SCHEMBL11147504 0.82 MEN1 (0.35)
SCHEMBL203613 0.75 CYP1A2 (0.40)
SCHEMBL2591068 0.72
SCHEMBL27183277 0.72
SCHEMBL28564880 0.71
SCHEMBL3182187 0.71
Sulfuric Acid SCHEMBL11334845 0.69 CA12 (0.59)
SCHEMBL360351 0.69
SCHEMBL66679 0.69
SCHEMBL28687682 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115445228-B Device and process for continuously removing acetone solvent from aqueous polyurethane dispersion 万华化学集团股份有限公司 2024-06-25 CN claimed
CN-117925171-A Double-component environment-friendly water-based gold stamping adhesive and preparation method thereof 浙江锶通净新材料有限公司 2024-04-26 CN claimed
WO-2024078045-A1 WATERBORNE POLYURETHANE DISPERSION FOR AUTOMOBILE COATING, AND PREPARATION METHOD THEREFOR AND USE THEREOF 立邦涂料(中国)有限公司 2024-04-18 WO claimed
CN-117866170-A Water-based polyurethane with high mechanical strength and high elongation at break and preparation method thereof 山东大学 2024-04-12 CN claimed
CN-117801213-A Deflection-resistant aqueous polyurethane dispersion and preparation method and application thereof 万华化学集团股份有限公司 2024-04-02 CN claimed
CN-117801756-A Anti-skinning water-based polyurethane adhesive and preparation method thereof 万华化学集团股份有限公司 2024-04-02 CN claimed
CN-117683453-A Water-based UV insulating coating and preparation method and application thereof 广州集泰化工股份有限公司 2024-03-12 CN claimed
CN-117186690-A Preparation method of water-based ink for flexible package 山东英诺新材料有限公司 2023-12-08 CN claimed
CN-117186341-A Flame-retardant waterborne polyurethane and preparation method thereof 南昌大学 2023-12-08 CN claimed
CN-117024053-A Fireproof and moistureproof composite partition board and preparation method thereof 江苏鸿瑞兴鲁实业有限公司 2023-11-10 CN claimed
CN-112194772-A High-solid self-repairing type waterborne polyurethane acrylate and preparation method thereof 陕西科技大学 2021-01-08 CN claimed
CN-112133766-A Crystalline silicon battery electrode prepared by electroplating method and preparation process thereof 江苏东鋆光伏科技有限公司 2020-12-25 CN claimed
CN-112038436-A Multi-main-grid battery assembly with light reflecting adhesive film and preparation process thereof 江苏东鋆光伏科技有限公司 2020-12-04 CN claimed
CN-107353384-B Waterborne polyurethane containing side chain benzene and preparation method thereof 安徽岑星材料科技有限公司 2020-11-24 CN claimed
CN-110669188-B Waterborne polyurethane coating capable of self-repairing through ultraviolet light and preparation method thereof 南京林业大学 2020-10-13 CN claimed
CN-107266650-B Water pressure resistant waterproof polyurethane fabric finishing agent and preparation method thereof 安徽省炫科新材料科技有限公司 2020-08-04 CN claimed
CN-111393605-A High-solid high-bio-based sulfonic acid type waterborne polyurethane and preparation method and application thereof 合肥科天水性科技有限责任公司 2020-07-10 CN claimed
CN-110669188-A Waterborne polyurethane coating capable of self-repairing through ultraviolet light and preparation method thereof 南京林业大学 2020-01-10 CN claimed
CN-108219103-B Waterborne polyurethane resin and preparation method and application thereof 广州昊毅新材料科技股份有限公司 2019-12-24 CN claimed
CN-109021250-A A kind of preparation of waterborne polyurethane modified montmorillonite nano-composite emulsion 江南大学 2018-12-18 CN claimed