SCHEMBL4427757

SCHEMBL4427757

O=C([O-])CC(O)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
SCHEMBL7465722 1.00
Lithium Ion SCHEMBL28940539 0.94
SCHEMBL10423091 0.85 CA4 (0.60)
Glycerin SCHEMBL27520568 0.85 LMNA (0.60)
Glycerin SCHEMBL9509912 0.85 LMNA (0.60)
Glycerin SCHEMBL2938480 0.82 LMNA (0.56)
Glycerin SCHEMBL15136449 0.81 LMNA (0.47)
SCHEMBL19615902 0.81 LMNA (0.40)
Malic Acid SCHEMBL10879312 0.80 CA4 (0.73)
Glycerin SCHEMBL15453340 0.80 LMNA (0.53)

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-118099430-A Cathode for secondary battery and cathode slurry 广东省皓智科技有限公司 2024-05-28 CN disclosed
CN-114424365-B Cathode for secondary battery and cathode slurry 广东省皓智科技有限公司 2024-04-23 CN disclosed
CN-114424365-A Cathode for secondary battery and cathode slurry 广东省皓智科技有限公司 2022-04-29 CN disclosed
US-7510861-B2 Gluconate dehydratase MITSUI CHEMICALS, INC. (JP) 2009-03-31 US disclosed
EP-1496113-B1 Gluconate dehydratase MITSUI CHEMICALS INC (JP) 2008-09-03 EP disclosed
US-20070015265-A1 Novel gluconate dehydratase MITSUI CHEMICALS, INC. (JP) 2007-01-18 US disclosed
US-7125704-B2 Gluconate dehydratase MITSUI CHEMICALS, INC. (JP) 2006-10-24 US disclosed
US-20050054042-A1 Novel gluconate dehydratase MITSUI CHEMICALS, INC. (JP) 2005-03-10 US disclosed
EP-1496113-A1 Gluconate dehydratase MITSUI CHEMICALS, INC. (JP) 2005-01-12 EP disclosed
US-6455058-B1 ANTIDANDRUFF AGENT SUCH AS SALICYLIC ACID, (2) A POLYETHYLENIMINE, AND (3) AN AMPHOTERIC SURFACTANT. THE COMPOSITION PROVIDES SUPERIOR EFFECTS FOR REPAIRING DAMAGED HAIR, PROTECTING HAIR AGAINST CHEMICAL AND MECHANICAL DAMAGE AMITEE COSMETICS, INC. 2002-09-24 US disclosed
EP-1100953-A1 CONTINUOUS PROCESS FOR PREPARING OPTICALLY PURE ($i(S))-3-HYDROXY-GAMA-BUTYROLACTONE Samsung Fine Chemicals Co., Ltd. (KR) 2001-05-23 EP disclosed
WO-2000005401-A1 CONTINUOUS PROCESS FOR PREPARING OPTICALLY PURE (S)-3-HYDROXY-GAMA-BUTYROLACTONE SAMSUNG FINE CHEMICALS CO., LTD. (KR) 2000-02-03 WO disclosed