⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL25175277 | 0.78 | — | — | |
| SCHEMBL8681762 | 0.76 | — | — | |
| SCHEMBL13964758 | 0.74 | — | — | |
| SCHEMBL8684030 | 0.69 | — | — | |
| SCHEMBL13691963 | 0.69 | — | — | |
| SCHEMBL3807353 | 0.69 | — | — | |
| SCHEMBL130679 | 0.67 | — | — | |
| SCHEMBL5116343 | 0.67 | — | — | |
| SCHEMBL347747 | 0.67 | — | — | |
| SCHEMBL147872 | 0.67 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114213254-B | Beta-nitroketone and preparation method and application method thereof | 北京师范大学 | 2023-04-25 | — | — | CN | disclosed |
| CN-114213254-A | Beta-nitroketone, and preparation method and application method thereof | 北京师范大学 | 2022-03-22 | — | — | CN | disclosed |
| WO-2020193649-A1 | NEW THERAPEUTIC APPLICATION OF 1,2-DIOXOLANE-3,5-DISUBSTITUTED COMPOUNDS, AND METHOD FOR THE PRODUCTION THEREOF | Universite Paris-Saclay (FR) | 2020-10-01 | — | — | WO | disclosed |
| WO-2020193650-A1 | PROCESS FOR PREPARING 1,2-ENDOPEROXIDE COMPOUNDS | Universite Paris-Saclay (FR) | 2020-10-01 | — | — | WO | disclosed |
| US-8012963-B2 | 3,4-dihydro-2H-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors | JANSSEN PHARMACEUTICA N.V. (BE) | 2011-09-06 | — | — | US | disclosed |
| US-8012963-B2 | 3,4-dihydro-2H-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors | JANSSEN PHARMACEUTICA N.V. (BE) | 2011-09-06 | — | — | US | disclosed |
| US-20110123925-A1 | POLYMER FOR PROTECTIVE LAYER OF RESIST, AND POLYMER COMPOSITION INCLUDING THE SAME | CHEIL INDUSTRIES, INC. (KR) | 2011-05-26 | — | — | US | disclosed |
| US-20100227857-A1 | 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS | KUO GEE-HONG | 2010-09-09 | — | — | US | disclosed |
| US-20100227857-A1 | 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS | KUO GEE-HONG | 2010-09-09 | — | — | US | disclosed |
| US-7749995-B2 | 3,4-dihydro-2h-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2010-07-06 | — | — | US | disclosed |
| EP-1299392-A2 | GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS | Abbott Laboratories (US) | 2003-04-09 | — | — | EP | disclosed |
| US-20030035917-A1 | Image making medium | HYMAN SYDNEY (US) | 2003-02-20 | — | — | US | disclosed |
| US-6506766-B1 | A pharmaceutical composition for use in treating inflammation, immune, autoimmune, and inflammatory diseases in a mammal by selectively modulating the activation, repression, agonism, and antagonism effects of the mammal's glucocorticoid | ABBOTT LABORATORIES | 2003-01-14 | — | — | US | disclosed |
| EP-1053239-B1 | GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS | ABBOTT LAB (US) | 2003-01-08 | — | — | EP | disclosed |
| WO-2002002565-A2 | GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS | ABBOTT LABORATORIES (US) | 2002-01-10 | — | — | WO | disclosed |
| EP-1053239-A1 | GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS | ABBOTT LABORATORIES (US) | 2000-11-22 | — | — | EP | disclosed |
| WO-1999041256-A1 | GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS | ABBOTT LABORATORIES (US) | 1999-08-19 | — | — | WO | disclosed |
| US-5714624-A | STABLE CATALYST FOR PRODUCTS WITH EXCELLENT OPTICAL ACTIVITY | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1998-02-03 | — | — | US | disclosed |
| US-5705678-A | Oxotitanium complex, asymmetric hydrogenation catalyst comprising the complex, and process for producing β-hydroxy ketone or α-hydroxy carboxylic acid ester using the complex | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1998-01-06 | — | — | US | disclosed |
| EP-0676404-A2 | Oxotitanium complexes useful as asymmetric reaction catalysts particularly for producing beta-hydroxy ketones or alpha-hydroxy carboxylic acid esters | Takasago International Corporation (JP) | 1995-10-11 | — | — | EP | disclosed |