SCHEMBL2027652

SCHEMBL2027652

N#CCC(=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
Hydrochloric Acid SCHEMBL29202205 0.97
SCHEMBL30489944 0.97 MCL1 (0.46)
SCHEMBL6913813 0.94 MCL1 (0.48)
Potassium Ion SCHEMBL6033991 0.94
Zinc Ion SCHEMBL6916696 0.94 MCL1 (0.48)
Silver SCHEMBL8940583 0.94
Lithium Ion SCHEMBL11835320 0.94
SCHEMBL6917199 0.94
SCHEMBL6916777 0.94 MCL1 (0.48)
SCHEMBL6913817 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-221602003-U Continuous acidification device in cyanoacetic acid production process 营口征程新材料科技有限公司 2024-08-27 CN claimed
CN-221602004-U Continuous cyanidation device in cyanoacetic acid production process 营口征程新材料科技有限公司 2024-08-27 CN claimed
CN-117963892-B Method for preparing carbon quantum dots by taking inorganic salt as reaction medium and application 天津城建大学 2024-06-11 CN claimed
CN-117963892-A Method for preparing carbon quantum dots by taking inorganic salt as reaction medium and application 天津城建大学 2024-05-03 CN claimed
CN-117899774-A Device and method for continuously synthesizing cyanoacetic acid 营口征程新材料科技有限公司 2024-04-19 CN claimed
CN-117820169-A Preparation method of m-trifluoromethyl benzyl cyanide 上海赫腾精细化工有限公司 2024-04-05 CN claimed
CN-108299235-B Continuous cyanidation device and process thereof 烟台国邦化工机械科技有限公司 2023-12-05 CN claimed
CN-116730866-B Preparation method of cyanoacetic acid 山东新和成药业有限公司 2023-10-31 CN claimed
CN-116730866-A Preparation method of cyanoacetic acid 山东新和成药业有限公司 2023-09-12 CN claimed
CN-217016627-U Continuous neutralization and cyanidation reaction device for producing cyanoacetic acid 河北诚信九天医药化工有限公司 2022-07-22 CN claimed
CN-214915926-U Device for continuously decyanating cyanoacetic acid aqueous solution 潍坊滨海石油化工有限公司 2021-11-30 CN claimed
CN-113402420-A 2-amino, 2-cyanoacetic acid methyl ester/ethyl ester, 2-amino, 2-cyanoacetic acid and synthesis process thereof 田雨 2021-09-17 CN claimed
CN-213739249-U Continuous cyaniding production sodium cyanoacetate and continuous cyanogen removing device 河北诚信九天医药化工有限公司 2021-07-20 CN claimed
CN-106045879-B Method for preparing cyanoacetic acid 国药集团化学试剂有限公司 2021-07-02 CN claimed
CN-111393323-A Environment-friendly clean production method of high-purity cyanoacetic acid, cyanoacetic ester and malonic ester 高春燕 2020-07-10 CN claimed
CN-111100034-A Method for continuously synthesizing cyanoacetic acid by using microchannel reactor 潍坊滨海石油化工有限公司 2020-05-05 CN claimed
CN-1629126-A Environmental protection and clean process for preparing high purity malonic ester GU LIHUA (CN) 2005-06-22 CN claimed
EP-1028105-B1 Process for the preparation of Cyanoacetic esters LONZA AG (CH) 2004-04-21 EP claimed
US-6239307-B1 REACTING ALKALI METAL CYANOACETATE IN PRESENCE OF PHASE TRANSFER CATALYST LONZA AG (CH) 2001-05-29 US claimed
US-4568350-A Cold pad-batch process for dyeing silk or silk-containing fiber blends with reactive dyes CIBA-GEIGY CORPORATION (US) 1986-02-04 US claimed