SCHEMBL7465722

SCHEMBL7465722

O=C([O-])C[C@H](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
SCHEMBL4427757 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100954-B1 CONTINUOUS PROCESS FOR PREPARING OPTICALLY PURE (S)-3,4-DIHYDROXYBUTYRIC ACID DERIVATIVES SAMSUNG FINE CHEMICALS CO LTD (KR) 2002-10-09 EP disclosed
EP-1100953-B1 CONTINUOUS PROCESS FOR PREPARING OPTICALLY PURE ($i(S))-3-HYDROXY-GAMA-BUTYROLACTONE SAMSUNG FINE CHEMICALS CO LTD (KR) 2002-10-09 EP disclosed
US-6288272-B1 REACTION OF ENANTIOMORPHS OF AMYLOPECTIN TO LINKED OLIGOSACCHARIDE, OXIDATION OF OLIGOSACCHARIDE, ESTERIFICATION WITH ALCOHOL SAMSUNG FINE CHEMICALS CO., LTD. (KR) 2001-09-11 US disclosed
US-6251642-B1 ENZYMATICALLY CONVERTING AMYLOPECTIN TO ALPHA-(1,4)-LINKED OLIGOSACCHARIDE, OXIDIZING BASIC ANION EXCHANGE RESIN TO (S)-3,4-DIHYDROXYBUTYRIC ACID, ESTERIFYING WITH ALCOHOL AND ACID CATALYST, THEN CYCLIZING WITH ACID CATALYST SAMSUNG FINE CHEMICALS, CO., LTD. (KR) 2001-06-26 US disclosed
EP-1100954-A1 CONTINUOUS PROCESS FOR PREPARING OPTICALLY PURE (S)-3,4-DIHYDROXYBUTYRIC ACID DERIVATIVES Samsung Fine Chemicals Co., Ltd. (KR) 2001-05-23 EP disclosed
EP-1100953-A1 CONTINUOUS PROCESS FOR PREPARING OPTICALLY PURE ($i(S))-3-HYDROXY-GAMA-BUTYROLACTONE Samsung Fine Chemicals Co., Ltd. (KR) 2001-05-23 EP disclosed
EP-1100948-A1 PROCESS FOR PREPARING ALPHA-(1,4) LINKED OLIGOSACCHARIDE 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
WO-2000005402-A1 CONTINUOUS PROCESS FOR PREPARING OPTICALLY PURE (S)-3,4-DIHYDROXYBUTYRIC ACID DERIVATIVES SAMSUNG FINE CHEMICALS CO., LTD. (KR) 2000-02-03 WO disclosed
WO-2000005398-A1 PROCESS FOR PREPARING ALPHA-(1,4) LINKED OLIGOSACCHARIDE SAMSUNG FINE CHEMICALS CO., LTD. (KR) 2000-02-03 WO disclosed
EP-0513430-B1 Process for the preparation of 3,4-dihydroxybutanoic acid and salts thereof UNIV MICHIGAN STATE (US) 1995-01-25 EP disclosed
US-5374773-A Process for the preparation of 3,4-dihydroxybutanoic acid and salts thereof BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1994-12-20 US disclosed
US-5319110-A Process for the preparation of 3,4-dihydroxybutanoic acid and salts thereof BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1994-06-07 US disclosed
US-5292939-A Process for the preparation of 3,4-dihydroxybutanoic acid and salts thereof BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1994-03-08 US disclosed
EP-0513430-A1 Process for the preparation of 3,4-dihydroxybutanoic acid and salts thereof THE BOARD OF TRUSTEES OF THE MICHIGAN STATE UNIVERSITY (US) 1992-11-19 EP disclosed