SCHEMBL4612400

SCHEMBL4612400

CCC(CO)C(=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
Bicarbonate SCHEMBL3814863 0.95 CA2 (0.54)
SCHEMBL1913400 0.95 CA2 (0.52)
SCHEMBL5160557 0.95 CA2 (0.52)
Water SCHEMBL5159517 0.92 CA2 (0.50)
Sulfuric Acid SCHEMBL6659224 0.86 CA2 (0.45)
SCHEMBL3892346 0.86
SCHEMBL5079490 0.86 CA2 (0.58)
Acetoacetic Acid SCHEMBL28989893 0.81 CA2 (0.41)
Potassium Ion SCHEMBL267337 0.80
SCHEMBL17178412 0.80 CA2 (0.58)

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115354504-A Mildew-proof breathable fabric and preparation method thereof 胡广军 2022-11-18 CN claimed
CN-115354504-A Mildew-proof breathable fabric and preparation method thereof 胡广军 2022-11-18 CN disclosed
EP-0997735-B1 Stabilisation of biological fluids by addition of sterol esters DADE BEHRING MARBURG GMBH (DE) 2008-01-30 EP disclosed
US-6440747-B2 USING STEROL ESTERS COUPLED TO A POLYOXYETHYLENE GLYCOL COUPLED BY A DICARBOXYLIC ACID; LONG-TERM STABILIZATION FOR EVEN THOSE SERUMS OBTAINED BY LYOPHILIZATION AND SUBSEQUENT RECONSTITUTION; CLARITY; ANTIAGGLOMERANTS; DADE BEHRING MARBURG GMBH (DE) 2002-08-27 US disclosed
US-20010049146-A1 Using sterol esters coupled to a polyoxyethylene glycol coupled by a dicarboxylic acid; long-term stabilization for even those serums obtained by lyophilization and subsequent reconstitution; clarity; antiagglomerants; DADE BEHRING MARBURG, GMBH 2001-12-06 US disclosed
EP-0647850-B1 Treatment of lipoprotein containing samples TECHNOCLONE GES M B H (AT) 2001-01-17 EP disclosed
EP-0997735-A2 Stabilisation of biological fluids by addition of sterol esters Dade Behring Marburg GmbH (DE) 2000-05-03 EP disclosed
EP-0647850-A2 Treatment of lipoprotein containing samples IMMUNO Aktiengesellschaft (AT) 1995-04-12 EP disclosed
EP-0294714-B1 USE OF POLYVINYLPYRROLIDONE (PVP) TO REDUCE TURBIDITY OF SERA, SERA CONTAINING PVP AND PROCESS FOR THEIR PRODUCTION BEHRINGWERKE Aktiengesellschaft (DE) 1992-07-22 EP disclosed
EP-0141922-B1 METHOD OF DECREASING TURBIDITY IN CONTROL SERA BEHRINGWERKE Aktiengesellschaft (DE) 1988-09-28 EP disclosed
US-4649120-A PROLINE, SODIUM DEOXYCHOLATE BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1987-03-10 US disclosed
EP-0141922-A1 Method of decreasing turbidity in control sera BEHRINGWERKE Aktiengesellschaft (DE) 1985-05-22 EP disclosed