⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7685569 | 0.77 | — | — | |
| SCHEMBL9017019 | 0.64 | — | — | |
| SCHEMBL11468155 | 0.63 | — | — | |
| SCHEMBL13465286 | 0.60 | — | — | |
| SCHEMBL16862328 | 0.59 | — | — | |
| SCHEMBL577557 | 0.54 | — | — | |
| SCHEMBL15094764 | 0.54 | — | — | |
| SCHEMBL12531168 | 0.53 | ABCG2 (0.36) | — | |
| SCHEMBL5158335 | 0.53 | PKM (0.32) | — | |
| SCHEMBL28690883 | 0.51 | TSHR (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |