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 | |
|---|---|---|---|---|
| SCHEMBL1885164 | 0.94 | — | — | |
| SCHEMBL3577 | 0.94 | — | — | |
| SCHEMBL8006466 | 0.94 | — | — | |
| SCHEMBL2868962 | 0.94 | — | — | |
| SCHEMBL30507 | 0.94 | — | — | |
| SCHEMBL502684 | 0.94 | — | — | |
| SCHEMBL149311 | 0.94 | — | — | |
| SCHEMBL17675347 | 0.88 | — | — | |
| SCHEMBL914234 | 0.88 | — | — | |
| SCHEMBL9422162 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1131155-B1 | CATALYST AND PROCESS FOR PREPARING 1,3-PROPANEDIOL | SHELL INT RESEARCH (NL) | 2005-08-17 | — | — | EP | disclosed |
| US-6342464-B1 | MOLYBDENUM NICKEL SILICATE CATALYST | SHELL OIL COMPANY | 2002-01-29 | — | — | US | disclosed |
| EP-1131155-A1 | CATALYST AND PROCESS FOR PREPARING 1,3-PROPANEDIOL | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000025914-A1 | CATALYST AND PROCESS FOR PREPARING 1,3-PROPANEDIOL | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2000-05-11 | — | — | WO | disclosed |
| US-5945570-A | Catalyst and process for preparing 1,3-propanediol | SHELL OIL COMPANY | 1999-08-31 | — | — | US | disclosed |
| US-4101449-A | SINTERING ANICKEL OXIDE | FUJIMI KENMAZAI KOGYO CO., LTD. (JP) | 1978-07-18 | — | — | US | disclosed |