⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2477383 | 0.84 | — | — | |
| SCHEMBL28639778 | 0.79 | — | — | |
| SCHEMBL2473763 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL22532 | 0.76 | — | — | |
| SCHEMBL28663513 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL11341378 | 0.76 | TSHR (0.46) | — | |
| Acetaldehyde SCHEMBL29291564 | 0.74 | TSHR (0.41) | — | |
| Propene SCHEMBL28671361 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL1966919 | 0.73 | TSHR (0.38) | — | |
| Bromide SCHEMBL2253287 | 0.73 | TSHR (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1460056-B1 | METHOD FOR PRODUCING A CARBONIC ESTER | ASAHI KASEI CHEMICALS CORP (JP) | 2011-10-05 | — | — | EP | disclosed |
| US-7435842-B2 | Process for producing carbonic ester | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2008-10-14 | — | — | US | disclosed |
| US-20050080274-A1 | Process for producing carbonic ester | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2005-04-14 | — | — | US | disclosed |
| EP-1460056-A1 | PROCESS FOR PRODUCING CARBONIC ESTER | Asahi Kasei Chemicals Corporation (JP) | 2004-09-22 | — | — | EP | disclosed |