⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28274387 | 0.76 | CA1 (0.60) | — | |
| SCHEMBL27171 | 0.76 | — | — | |
| Diiodohydroxypropane SCHEMBL2279164 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28143795 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL9000235 | 0.72 | — | — | |
| Water SCHEMBL28182528 | 0.72 | — | — | |
| SCHEMBL1051280 | 0.71 | — | — | |
| SCHEMBL27688181 | 0.69 | — | — | |
| SCHEMBL622604 | 0.69 | — | — | |
| SCHEMBL9614260 | 0.67 | — | — |
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-0543249-B1 | Method for the preparation of alkylene carbonates | BAYER AG (DE) | 1996-04-10 | — | — | EP | disclosed |
| US-5391767-A | Catalytic reaction of alkylene oxide with carbon dioxide in presence of mixed catalyst which can be regenerated by treating with halogen compound | BAYER AKTIENGESELLSCHAFT (DE) | 1995-02-21 | — | — | US | disclosed |
| EP-0543249-A1 | Method for the preparation of alkylene carbonates | BAYER AG (DE) | 1993-05-26 | — | — | EP | disclosed |