⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2346262 | 0.95 | TSHR (0.32) | — | |
| SCHEMBL2324697 | 0.90 | TSHR (0.32) | — | |
| SCHEMBL2343993 | 0.85 | — | — | |
| SCHEMBL2325951 | 0.85 | TSHR (0.40) | — | |
| SCHEMBL55392 | 0.84 | TSHR (0.35) | — | |
| Water SCHEMBL27512322 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL4279842 | 0.81 | — | — | |
| SCHEMBL4909630 | 0.79 | — | — | |
| SCHEMBL2327818 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL2349168 | 0.78 | — | — |
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-1640357-B1 | METHOD FOR PRODUCING AROMATIC CARBONATE | ASAHI KASEI CHEMICALS CORP (JP) | 2011-08-31 | — | — | EP | disclosed |
| US-7652122-B2 | Method for producing an aromatic carbonate | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2010-01-26 | — | — | US | disclosed |
| US-20070055042-A1 | Method for producing an aromatic carbonate | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2007-03-08 | — | — | US | disclosed |
| EP-1640357-A1 | METHOD FOR PRODUCING AROMATIC CARBONATE | Asahi Kasei Chemicals Corporation (JP) | 2006-03-29 | — | — | EP | disclosed |