⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6314 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL6685964 | 0.86 | — | — | |
| SCHEMBL11551443 | 0.86 | — | — | |
| SCHEMBL11552862 | 0.86 | — | — | |
| SCHEMBL1012118 | 0.86 | — | — | |
| SCHEMBL317526 | 0.86 | — | — | |
| SCHEMBL11552183 | 0.86 | — | — | |
| SCHEMBL9751165 | 0.86 | — | — | |
| Water SCHEMBL22041614 | 0.86 | — | — | |
| SCHEMBL6248320 | 0.86 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0584785-B1 | Method of producing carbonic diesters | DAICEL CHEM (JP) | 1997-03-19 | — | — | EP | disclosed |
| US-5466856-A | Method of producing carbonic diesters | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1995-11-14 | — | — | US | disclosed |
| EP-0584785-A2 | Method of producing carbonic diesters | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1994-03-02 | — | — | EP | disclosed |