⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1463009 | 0.67 | — | — | |
| SCHEMBL297507 | 0.67 | — | — | |
| SCHEMBL3721998 | 0.64 | — | — | |
| SCHEMBL24473679 | 0.62 | — | — | |
| SCHEMBL13345001 | 0.62 | — | — | |
| SCHEMBL15479104 | 0.62 | — | — | |
| SCHEMBL14099498 | 0.60 | — | — | |
| SCHEMBL12028897 | 0.60 | — | — | |
| SCHEMBL9924460 | 0.60 | — | — | |
| SCHEMBL7946454 | 0.60 | — | — |
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-113248461-B | Preparation method of hydroxyl oxygen heterocyclic alkane derivative | 上海巽田科技股份有限公司 | 2022-07-22 | — | — | CN | disclosed |