⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL126786 | 0.96 | — | — | |
| Rubidium SCHEMBL7042595 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL4348416 | 0.93 | — | — | |
| SCHEMBL28256149 | 0.93 | — | — | |
| Ethane SCHEMBL28468880 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL2949527 | 0.93 | — | — | |
| Methyl Alcohol SCHEMBL29001109 | 0.93 | — | — | |
| SCHEMBL29078418 | 0.93 | — | — | |
| SCHEMBL22129974 | 0.93 | — | — | |
| SCHEMBL27596607 | 0.93 | — | — |
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-0916645-B1 | Preparation of dialkyl carbonate | UBE INDUSTRIES (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-5973184-A | CATALYST SELECTIVITY IN PRESENCE OF AN ALKALI METAL COMPOUND CATALYST | UBE INDUSTRIES, LTD. (JP) | 1999-10-26 | — | — | US | disclosed |
| EP-0916645-A1 | Preparation of dialkyl carbonate | UBE INDUSTRIES, LTD. (JP) | 1999-05-19 | — | — | EP | disclosed |