⚠ 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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL6252795 | 0.97 | — | — | |
| SCHEMBL4376486 | 0.93 | ALDH1A1 (0.43) | — | |
| SCHEMBL7041831 | 0.93 | — | — | |
| SCHEMBL2863682 | 0.93 | — | — | |
| Tetramethylammonium Ion SCHEMBL15632768 | 0.88 | ALDH1A1 (0.39) | — | |
| Tetrylammonium SCHEMBL15632811 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL15632857 | 0.77 | BBOX1 (0.34) | — | |
| SCHEMBL11125459 | 0.77 | BBOX1 (0.42) | — | |
| Methyl Alcohol SCHEMBL6195885 | 0.76 | ALDH1A1 (0.45) | — | |
| Potassium Ion SCHEMBL11850339 | 0.74 | CA4 (0.47) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1113852-C | Preparation of dialkyl carbonate | UBE INDUSTRIES (JP) | 2003-07-09 | — | — | CN | disclosed |
| 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 |
| CN-1221732-A | Preparation of dialkyl carbonate | UBE INDUSTRIES (JP) | 1999-07-07 | — | — | CN | disclosed |
| EP-0916645-A1 | Preparation of dialkyl carbonate | UBE INDUSTRIES, LTD. (JP) | 1999-05-19 | — | — | EP | disclosed |