Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL6248050 | 0.94 | — | — | |
| SCHEMBL2185692 | 0.88 | — | — | |
| Water SCHEMBL28886224 | 0.88 | — | — | |
| Water SCHEMBL914730 | 0.82 | — | — | |
| Water SCHEMBL7035808 | 0.82 | — | — | |
| Water SCHEMBL5793012 | 0.82 | — | — | |
| Water SCHEMBL5030871 | 0.82 | — | — | |
| SCHEMBL17785151 | 0.82 | — | — | |
| Water SCHEMBL15422857 | 0.82 | — | — | |
| SCHEMBL29216 | 0.82 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1124998-B1 | METHOD FOR THE PRODUCTION OF A HIGH-PURITY CONCENTRATED MAGNESIUM CHLORIDE SOLUTION BY ACID LEACHING AND NEUTRALIZATION | NORANDA INC (CA) | 2003-02-26 | — | — | EP | disclosed |
| EP-1124998-A1 | METHOD FOR THE PRODUCTION OF A HIGH-PURITY CONCENTRATED MAGNESIUM CHLORIDE SOLUTION BY ACID LEACHING AND NEUTRALIZATION | NORANDA INC. (CA) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000017408-A1 | METHOD FOR THE PRODUCTION OF A HIGH-PURITY CONCENTRATED MAGNESIUM CHLORIDE SOLUTION BY ACID LEACHING AND NEUTRALIZATION | NORANDA INC. (CA) | 2000-03-30 | — | — | WO | disclosed |
| US-5980854-A | EXTRACTION OF MAGNESIUM FROM MAGNESIUM-CONTAINING MATERIALS SUCH AS MAGNESITE, DOLOMITE, SERPENTINE BY LEACHING WITH HYDROCHLORIC ACID AT A HIGH TEMPERATURE TO INITIATE AN AUTOGENOUS REACTION | NORANDA, INC. (CA) | 1999-11-09 | — | — | US | disclosed |