Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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.
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 | |
|---|---|---|---|---|
| SCHEMBL9775305 | 1.00 | — | — | |
| Fluoride Ion SCHEMBL7885058 | 0.93 | — | — | |
| SCHEMBL30557952 | 0.93 | — | — | |
| Water SCHEMBL665585 | 0.93 | — | — | |
| SCHEMBL8780986 | 0.93 | — | — | |
| SCHEMBL8006472 | 0.91 | — | — | |
| SCHEMBL3578 | 0.91 | — | — | |
| SCHEMBL17264 | 0.91 | — | — | |
| SCHEMBL17785151 | 0.87 | — | — | |
| Water SCHEMBL5793012 | 0.87 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110081451-A1 | SPHERICAL CORE-SHELL-PARTICLE | SYMRISE AG (DE) | 2011-04-07 | — | — | US | claimed |
| EP-2305742-A1 | Spherical core-shell-particle | Symrise AG (DE) | 2011-04-06 | — | — | EP | claimed |
| WO-2023205886-A1 | AN IMPROVED MINERAL TRIOXIDE AGGREGATE FILLING MATERIAL FOR DENTISTRY AND A DEVICE FOR ITS USE | PDS INC. (CA) | 2023-11-02 | — | — | WO | disclosed |
| EP-2305742-B1 | Spherical core-shell-particle | SYMRISE AG (DE) | 2017-02-22 | — | — | EP | disclosed |
| US-20110081451-A1 | SPHERICAL CORE-SHELL-PARTICLE | SYMRISE AG (DE) | 2011-04-07 | — | — | US | disclosed |
| EP-2305742-A1 | Spherical core-shell-particle | Symrise AG (DE) | 2011-04-06 | — | — | EP | disclosed |