⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28652792 | 0.69 | — | — | |
| SCHEMBL1448500 | 0.62 | — | — | |
| SCHEMBL2512312 | 0.60 | — | — | |
| SCHEMBL27419459 | 0.60 | — | — | |
| SCHEMBL2138122 | 0.60 | — | — | |
| SCHEMBL10605626 | 0.60 | — | — | |
| SCHEMBL3677731 | 0.60 | — | — | |
| SCHEMBL27830046 | 0.60 | — | — | |
| SCHEMBL4304180 | 0.59 | — | — | |
| SCHEMBL31099348 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6657069-B2 | Reacting 6-aminocarbonylmethyl-4H-2,3- dioxin-4-one compound with alcohol or water to produce 3-oxopentanedicarboxylic acid amide esters; decyclization | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2003-12-02 | — | — | US | disclosed |
| US-20030130519-A1 | Amido compounds and process for producing the same | DAICEL CHEMICAL INDUSTRIES, LTD. | 2003-07-10 | — | — | US | disclosed |
| US-6548674-B2 | 6-aminocarbonylmethyl-4H-1,3-dioxin-4-ones made by reacting a 6-halomethyl-4H-1,3-dioxin-4-ones with primary or secondary amine and carbon monoxide; intermediate to 3-oxopentanedicarboxylic acid amides for drugs, polyamides | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2003-04-15 | — | — | US | disclosed |
| US-6462223-B2 | REACTING A 6-HALOMETHYL-4H-1,3-DIOXIN-4-ONE DERIVATIVE WITH CARBON MONOXIDE AND AN ALCOHOL OR WATER | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-10-08 | — | — | US | disclosed |
| US-6297388-B1 | 6-ALKOXYCARBONYLMETHYL-4H-1,3-DIOXIN-4-ONES PRODUCED BY REACTING A 6-HALOMETHYL-4H-1,3-DIOXIN-4-ONE WITH CARBON MONOXIDE, AN ALCOHOL OR WATER, AND 3-OXOPENTANEDICARBOXYLIC ACID ESTERS FURTHER PRODUCED BY REACTING ABOVE DERIVATIVES | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-10-02 | — | — | US | disclosed |
| US-20010023297-A1 | Amido compounds and process for producing the same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-09-20 | — | — | US | disclosed |
| EP-1132386-A1 | Amido compounds and process for producing the same | Daicel Chemical Industries, Ltd. (JP) | 2001-09-12 | — | — | EP | disclosed |
| US-20010020103-A1 | Ester and process for producing the same | DAICEL CHEMICAL INDUSTRIES, LTD. | 2001-09-06 | — | — | US | disclosed |
| EP-1097931-A1 | 2-(4-Oxo-4H-1,3-dioxin-6-yl)acetates | Daicel Chemical Industries, Ltd. (JP) | 2001-05-09 | — | — | EP | disclosed |