SCHEMBL2529646

SCHEMBL2529646

O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)CO.[Fe+3]

nearest known ligand 0.87

Known targets — ChEMBL curated mechanism

rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.87
PDE4A P27815 1/20 0.64
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
KDM4E B2RXH2 2/20 0.37
OR51E2 Q9H255 1/20 0.33
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MGAM O43451 1/20 0.32
CA4 P22748 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL9805830 1.00 LMNA (0.87) LMNAPDE4ATDP1L3MBTL1USP2
SCHEMBL2529648 1.00 LMNA (0.87) LMNAPDE4ATDP1L3MBTL1USP2
SCHEMBL9805833 1.00 LMNA (0.87) LMNAPDE4ATDP1L3MBTL1USP2
Gluconic Acid SCHEMBL3768828 0.98 LMNA (0.91) LMNAPDE4ATDP1L3MBTL1USP2
Gluconic Acid SCHEMBL141069 0.98 LMNA (0.91) LMNAPDE4ATDP1L3MBTL1USP2
Gluconic Acid SCHEMBL3717039 0.98 LMNA (0.91) LMNAPDE4ATDP1L3MBTL1USP2
Gluconic Acid SCHEMBL6653232 0.98 LMNA (0.91) LMNAPDE4ATDP1L3MBTL1USP2
SCHEMBL6907170 0.95 LMNA (0.87) LMNAPDE4ATDP1L3MBTL1USP2
Lithium Ion SCHEMBL1458069 0.95 LMNA (0.87) LMNAPDE4ATDP1L3MBTL1USP2
Gluceptate Sodium SCHEMBL11234259 0.95 LMNA (0.95) LMNAPDE4ATDP1L3MBTL1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110776416-A Preparation method of iron glucoheptonate 上海永通生态工程股份有限公司 2020-02-11 CN claimed
US-8536106-B2 Ferric hydroxycarboxylate as a builder ECOLAB USA INC. (US) 2013-09-17 US claimed
US-20110257071-A1 FERRIC HYDROXYCARBOXYLATE AS A BUILDER ECOLAB USA INC. (US) 2011-10-20 US claimed
WO-2002009518-A1 MOLLUSCICIDAL COMPOSITION YOUNG COLIN LESLIE (AU) 2002-02-07 WO claimed
CN-111494387-A Triazine formulations with a second active ingredient and a surfactant 法国诗华动物保健公司 2020-08-07 CN disclosed
US-9023780-B2 Ferric hydroxycarboxylate as a builder ECOLAB USA INC. (US) 2015-05-05 US disclosed
US-20130345109-A1 FERRIC HYDROXYCARBOXYLATE AS A BUILDER ECOLAB USA INC. (US) 2013-12-26 US disclosed
US-8536106-B2 Ferric hydroxycarboxylate as a builder ECOLAB USA INC. (US) 2013-09-17 US disclosed
US-20110257071-A1 FERRIC HYDROXYCARBOXYLATE AS A BUILDER ECOLAB USA INC. (US) 2011-10-20 US disclosed
WO-2002009518-A1 MOLLUSCICIDAL COMPOSITION YOUNG COLIN LESLIE (AU) 2002-02-07 WO disclosed
EP-0444263-B1 Improved composition, device and method of assaying for peroxidatively active substances BAYER AG (US) 1995-09-13 EP disclosed
US-5362633-A Contacting test sample with redox indicator, organic hydroperoxide, ferric ion complex, phosphorus compound and carrier vehicle; determining color change of composition; comparing change to reference standard MILES INC. (US) 1994-11-08 US disclosed
EP-0444273-B1 Composition, device and method of assaying for a peroxidatively active substance MILES INC (US) 1994-11-02 EP disclosed
US-5318894-A Mixtures of redox indicator dyes, organic hydroperoxides, ferric ion complexes, substituted phosphorus compounds in stable sensitive detectors MILES INC. (US) 1994-06-07 US disclosed
US-5264348-A Ascorbate interference-resistant composition, device and method of assaying for predetermined analyte MILES INC. (US) 1993-11-23 US disclosed
EP-0513594-A2 Ascorbate interference-resistant composition, device and method of assaying for a predetermined analyte Bayer Corporation (US) 1992-11-19 EP disclosed
US-5089420-A With an indicator dye, a hydroperoxide and a buffer; especially useful for assaying accult blood MILES INC. (US) 1992-02-18 US disclosed
EP-0444263-A1 Improved composition, device and method of assaying for peroxidatively active substances Bayer Corporation (US) 1991-09-04 EP disclosed
EP-0444273-A1 Composition, device and method of assaying for a peroxidatively active substance MILES INC. (US) 1991-09-04 EP disclosed