SCHEMBL6674670

SCHEMBL6674670

O=[N+]([O-])C(CO)CO.[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
SCHEMBL1095074 0.97
SCHEMBL29926360 0.94
SCHEMBL9641219 0.94
Potassium Ion SCHEMBL9641220 0.94
SCHEMBL6671751 0.94
SCHEMBL459447 0.80
SCHEMBL635418 0.80
SCHEMBL3114905 0.80
Ethane SCHEMBL27863509 0.78 ALDH1A1 (0.42)
Methyl Alcohol SCHEMBL14764243 0.78 ALDH1A1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102436-A New process for preparing serinol 江西仙康药业有限公司 2023-05-12 CN claimed
EP-1169297-B1 METHOD FOR THE PRODUCTION OF SERINOL SK CORP (KR) 2004-09-29 EP claimed
US-6509504-B1 Reacting nitromethane, paraformaldehyde and sodium hydroxide to form 2-nitropropanediol/1,3-/, sodium salt; continuous hydrogenation SK CORPORATION (KR) 2003-01-21 US claimed
EP-1169297-A4 METHOD FOR THE PRODUCTION OF SERINOL SK CORP (KR) 2002-09-18 EP claimed
EP-1169297-A1 METHOD FOR THE PRODUCTION OF SERINOL SK Corporation (KR) 2002-01-09 EP claimed
WO-2000053567-A1 METHOD FOR THE PRODUCTION OF SERINOL SK CORPORATION (KR) 2000-09-14 WO claimed
CN-118005515-A Continuous synthesis method of amine compound 上海巽田科技股份有限公司 2024-05-10 CN disclosed
CN-116102436-A New process for preparing serinol 江西仙康药业有限公司 2023-05-12 CN disclosed
CN-109321610-B Efficient preparation of 2-amino-1, 3-propanediol by microbial fermentation method 上海交通大学 2022-11-04 CN disclosed
CN-113683521-A Novel method for producing 2-amino-1, 3-propylene glycol by JIT method 宁夏友奇药业有限公司 2021-11-23 CN disclosed
CN-211562957-U Synergistic injection apparatus of bromine nitryl alcohol bromination reaction 潍坊裕凯化工有限公司 2020-09-25 CN disclosed
US-8653306-B1 Process for production of serinol and its bis-adduct Penn A Kem LLC (US) 2014-02-18 US disclosed
CN-100408547-C Preparation method of serinol JIANGSU INST OF NUCLEAR MED (CN) 2008-08-06 CN disclosed
WO-2000053567-A1 METHOD FOR THE PRODUCTION OF SERINOL SK CORPORATION (KR) 2000-09-14 WO disclosed
WO-2000053567-A1 METHOD FOR THE PRODUCTION OF SERINOL SK CORPORATION (KR) 2000-09-14 WO disclosed
EP-0348223-B1 Novel process for the preparation of serinol ANGUS CHEMICAL (US) 1995-06-07 EP disclosed
US-4978793-A Novel process for the preparation of serinol W. R. GRACE & CO.-CONN. (US) 1990-12-18 US disclosed
EP-0349217-A2 Novel process for the preparation of bronopol W.R. Grace & Co.-Conn. (US) 1990-01-03 EP disclosed
EP-0348223-A2 Novel process for the preparation of serinol ANGUS CHEMICAL COMPANY (US) 1989-12-27 EP disclosed
US-4851588-A Novel process for the preparation of bronopol W. R. GRACE & CO.-CONN. (US) 1989-07-25 US disclosed