SCHEMBL1767663

SCHEMBL1767663

O=C([O-])CNCCO.[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
SCHEMBL11513727 0.95 CA4 (0.38)
SCHEMBL1355989 0.86 CA4 (0.50)
SCHEMBL10606866 0.85 CA4 (0.39)
SCHEMBL9939567 0.82 BBOX1 (0.43)
SCHEMBL11677216 0.81 CA4 (0.45)
SCHEMBL8186347 0.81 BBOX1 (0.46)
SCHEMBL112322 0.80
SCHEMBL29707468 0.80 CA4 (0.50)
SCHEMBL10610542 0.80 KDM4E (0.35)
SCHEMBL284370 0.80 CA4 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240316-A1 STYLING SHAMPOO COMPOSITIONS BASF SE (DE) 2023-09-13 EP claimed
WO-2022228806-A1 BIPHASIC COSMETIC COMPOSITION AND APPLICATION THEREOF BASF SE (DE) 2022-11-03 WO claimed
WO-2022096243-A1 STYLING SHAMPOO COMPOSITIONS BASF SE (DE) 2022-05-12 WO claimed
EP-1282596-B1 PREPARATION OF IMINODIACETIC ACID COMPOUNDS FROM MONOETHANOLAMINE SUBSTRATES MONSANTO TECHNOLOGY LLC (US) 2006-08-30 EP claimed
CN-1436167-A Preparation of iminodiacetic acid compounds from monoethanolamine MONSANTO TECHNOLOGY LLC (US) 2003-08-13 CN claimed
US-6555706-B2 Cyanoethylation, hydrolysis, dehydrogenation of ethanolamine MONSANTO COMPANY 2003-04-29 US claimed
EP-1282596-A1 PREPARATION OF IMINODIACETIC ACID COMPOUNDS FROM MONOETHANOLAMINE SUBSTRATES Monsanto Technology LLC (US) 2003-02-12 EP claimed
US-20020019565-A1 Process for making iminodiacetic acid compounds from monoethanolamine substrates MONSANTO TECHNOLOGY LLC 2002-02-14 US claimed
WO-2001087827-A1 PREPARATION OF IMINODIACETIC ACID COMPOUNDS FROM MONOETHANOLAMINE SUBSTRATES MONSANTO TECHNOLOGY LLC (US) 2001-11-22 WO claimed
EP-4443155-B1 ENCAPSULATED PRE-ANALYTIC WORKFLOWS FOR FLOW-THROUGH DEVICES, LIQUID CHROMATOGRAPHY AND MASS SPECTROMETRIC ANALYSIS WATERS TECHNOLOGIES CORP (US) 2026-05-13 EP disclosed
WO-2026089753-A1 COMPOSITIONS AND METHODS FOR INTRANASAL DELIVERY OF CARNOSINE FOR TREATMENT OF NEURODEGENERATIVE DISEASES AND DISORDERS Finitus, LLC (US) 2026-04-30 WO disclosed
WO-2026089754-A1 COMPOSITIONS AND METHODS FOR INTRANASAL DELIVERY OF THERAPEUTIC PEPTIDES Finitus, LLC (US) 2026-04-30 WO disclosed
US-20260108583-A1 COMPOSITIONS AND METHODS FOR INTRANASAL DELIVERY OF THERAPEUTIC PEPTIDES FINITUS LLC (US) 2026-04-23 US disclosed
US-20260108582-A1 COMPOSITIONS AND METHODS FOR INTRANASAL DELIVERY OF CARNOSINE FOR TREATMENT OF NEURODEGENERATIVE DISEASES AND DISORDERS FINITUS LLC (US) 2026-04-23 US disclosed
US-4931067-A Method or dyeing using phase change dyestuffs SRI INTERNATIONAL (US) 1990-06-05 US disclosed
US-4914232-A FOR POLYMERS THE B. F. GOODRICH COMPANY (US) 1990-04-03 US disclosed
EP-0306526-A1 PHASE CHANGE DYESTUFFS SRI INTERNATIONAL (US) 1989-03-15 EP disclosed
WO-1988007568-A1 PHASE CHANGE DYESTUFFS SRI INTERNATIONAL (US) 1988-10-06 WO disclosed
US-4540443-A Cooling system cleaning composition UNION CARBIDE CORPORATION (US) 1985-09-10 US disclosed
US-4528370-A Polysubstituted 2-morpholones NOVEON IP HOLDINGS CORP., FORMERLY KNOWN AS PMD HOLDINGS CORP. 1985-07-09 US disclosed