SCHEMBL891251

SCHEMBL891251

NC(CC(=O)O)C(CC(=O)[O-])(CC(=O)O)NCC(=O)[O-].[Na+].[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
Water SCHEMBL2156886 0.98
Potassium Ion SCHEMBL4631532 0.97
SCHEMBL9862231 0.97 CA4 (0.31)
Water SCHEMBL10536890 0.95
SCHEMBL8102542 0.89 CA2 (0.31)
SCHEMBL1389543 0.87 CA2 (0.33)
Water SCHEMBL976877 0.85 CA2 (0.32)
SCHEMBL509934 0.85 CA2 (0.32)
Water SCHEMBL9243946 0.85 CA2 (0.32)
Water SCHEMBL11495893 0.85 CA2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025024501-A1 NEUROMODULATORY PEPTIDES LACTOCORE, INC. (US) 2025-01-30 WO claimed
US-20210015137-A1 Edible Granules with Varied Flavors and Their Preparation Methods PANASIA WUHAN FOOD SCIENCE CO LTD (CN) 2021-01-21 US claimed
WO-2016020287-A1 TWO COMPONENT SYSTEM FOR COSMETIC FORMULATIONS OMYA INTERNATIONAL AG (CH) 2016-02-11 WO claimed
EP-2982363-A1 Two component system for cosmetic formulations Omya International AG (CH) 2016-02-10 EP claimed
EP-2622134-A1 DEGRADING AGENT COMPOSITIONS FOR TEMPORARY WET STRENGTH SYSTEMS IN TISSUE PRODUCTS Kemira OYJ (FI) 2013-08-07 EP claimed
WO-2012044416-A1 DEGRADING AGENT COMPOSITIONS FOR TEMPORARY WET STRENGTH SYSTEMS IN TISSUE PRODUCTS KEMIRA OYJ (FI) 2012-04-05 WO claimed
US-20120080157-A1 DEGRADING AGENT COMPOSITIONS FOR TEMPORARY WET STRENGTH SYSTEMS IN TISSUE PRODUCTS KEMIRA OYJ (FI) 2012-04-05 US claimed
WO-2009150101-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING N-[2-((2R)-2-{[4-[(4-CHLOROPHENYL)METHYL]-L-OXO-2(IH)-PHTHALAZ INYL]METHYL}-L- PYRROLIDINYL)ETHYL]-4-(METHYLOXY)BUTANAMIDE GLAXO GROUP LIMITED (GB) 2009-12-17 WO claimed
WO-2009050159-A1 COMBINATION OF FLUTICASONE FUROATE WITH 4- [ (4-CHL0R0PHENYL)METHYL] -2- ({ (2R)-I- [4-(4-{ [3-(HEXAHYDR0-LH-AZEPIN-L-YL) PROPYL ] OXY} PHENYL) BUTYL] -2-PYRROLIDINYL}METHYL) -1 (2H) - PHTHALAZ INONE GLAXO GROUP LIMITED (GB) 2009-04-23 WO claimed
EP-0696643-B1 Apparatus for inhibiting glycolysis in blood samples BECTON DICKINSON CO (US) 2004-05-19 EP claimed
EP-0679940-B1 Solid processing composition for silver halide photographic light-sensitive materials KONISHIROKU PHOTO IND (JP) 2001-01-24 EP claimed
JP-3251758-A None JP disclosed
JP-55146448-A None JP disclosed
JP-61203456-A None JP disclosed
JP-59197587-A None JP disclosed
US-4310253-A Stirring method TOYO ENGINEERING CORPORATION (JP) 1982-01-12 US disclosed
US-4288450-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1981-09-08 US disclosed
JP-S55146448-A PHOTOREGENERABLE DEVELOPER SHIRAI YASUO 1980-11-14 JP disclosed
US-4216155-A 3-GLYCOLOYLAMINO-4-OXO-4H-1-BENZOPYRAN; ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-08-05 US disclosed
US-4077911-A ANTIOXIDANTS, BUTYLATED HYDROXYTOLUENE, BUTYLATED HYDROXYANISOLE KAO SOAP CO., LTD. (JA) 1978-03-07 US disclosed