⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19066256 | 0.97 | LMNA (0.47) | — | |
| SCHEMBL23739 | 0.97 | — | — | |
| SCHEMBL28862770 | 0.93 | LMNA (0.45) | — | |
| Water SCHEMBL11472454 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL27280946 | 0.93 | — | — | |
| Ethane SCHEMBL9476289 | 0.93 | — | — | |
| Methane SCHEMBL28834055 | 0.93 | — | — | |
| SCHEMBL11697314 | 0.93 | — | — | |
| SCHEMBL26906108 | 0.93 | — | — | |
| SCHEMBL7844272 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109704965-A | A kind of preparation method of 3- dissident's oxygroup propionic acid dissident's ester | 韶关市合众化工有限公司 | 2019-05-03 | — | — | CN | disclosed |