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 SCHEMBL1252895 | 0.82 | — | — | |
| Water SCHEMBL6142606 | 0.82 | — | — | |
| SCHEMBL1662398 | 0.82 | — | — | |
| SCHEMBL219243 | 0.82 | — | — | |
| SCHEMBL3674149 | 0.82 | — | — | |
| Water SCHEMBL29152753 | 0.82 | — | — | |
| SCHEMBL9937825 | 0.82 | — | — | |
| Water SCHEMBL8143527 | 0.82 | — | — | |
| SCHEMBL516205 | 0.82 | — | — | |
| Water SCHEMBL27455594 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108083312-A | A kind of carbonization reactor and preparation small particle, polymolecularity, the method for low oil factor nano-calcium carbonate | 江西势通钙业有限公司 | 2018-05-29 | — | — | CN | claimed |
| EP-2620136-A1 | Denture adhesive hydrogel with dry tack | Combe Incorporated (US) | 2013-07-31 | — | — | EP | claimed |
| CN-108083312-B | A kind of carbonization reactor and preparation small particle, polymolecularity, low oil factor nanometer calcium carbonate method | 江西势通钙业有限公司 | 2019-09-03 | — | — | CN | disclosed |
| CN-108148451-A | A kind of compound base amount method agent and high intensity, the preparation method of low modulus silicone adhesive nano-calcium carbonate | 江西势通钙业有限公司 | 2018-06-12 | — | — | CN | disclosed |
| CN-108083312-A | A kind of carbonization reactor and preparation small particle, polymolecularity, the method for low oil factor nano-calcium carbonate | 江西势通钙业有限公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-107312269-A | A kind of composite thermal stabilizer and preparation method thereof | 郑州庆宏塑胶科技有限公司 | 2017-11-03 | — | — | CN | disclosed |
| US-6472079-B2 | PRODUCT OF HYDROLYSIS AND CONDENSATION OF AN ORGANOSILICON COMPOUND; 1A OR 2A COMPOUND, ESPECIALLY CARBOXYLIC SALT; SOLVENT; EXCELLENT CRACKING RESISTANCE AFTER A PCT (PRESSURE COOKER TEST). | JSR CORPORATION (JP) | 2002-10-29 | — | — | US | disclosed |
| US-20020045693-A1 | Composition for film formation, method of film formation and silica-based film | JSR CORPORATION (JP) | 2002-04-18 | — | — | US | disclosed |
| EP-1148105-A2 | Composition for film formation, method of film formation, and silica-based film | JSR Corporation (JP) | 2001-10-24 | — | — | EP | disclosed |