⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25912826 | 0.78 | — | — | |
| SCHEMBL22386696 | 0.78 | — | — | |
| SCHEMBL28960387 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL8548893 | 0.73 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL22960985 | 0.70 | — | — | |
| SCHEMBL25913021 | 0.68 | — | — | |
| SCHEMBL1324583 | 0.67 | — | — | |
| SCHEMBL8306987 | 0.65 | MAOB (0.41) | — | |
| SCHEMBL22386680 | 0.65 | — | — | |
| SCHEMBL22883273 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11718599-B2 | Method for producing cyclic carbonate having unsaturated group, and novel cyclic carbonate | DAIKIN INDUSTRIES, LTD. (JP) | 2023-08-08 | — | — | US | disclosed |