⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9727023 | 1.00 | — | — | |
| SCHEMBL12600025 | 1.00 | — | — | |
| SCHEMBL25741898 | 1.00 | — | — | |
| SCHEMBL24079390 | 0.94 | — | — | |
| SCHEMBL12927034 | 0.94 | — | — | |
| SCHEMBL17640961 | 0.94 | — | — | |
| SCHEMBL16810552 | 0.82 | — | — | |
| SCHEMBL14047988 | 0.81 | CA1 (0.56) | — | |
| SCHEMBL28641229 | 0.81 | CA1 (0.56) | — | |
| SCHEMBL30966704 | 0.79 | CA1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113336786-B | Diastereoselective polysubstituted naphthenic compound and preparation method thereof | 南京工业大学 | 2022-10-18 | — | — | CN | claimed |
| CN-113336786-A | Diastereoselective polysubstituted naphthenic compound and preparation method thereof | 南京工业大学 | 2021-09-03 | — | — | CN | claimed |
| CN-113336786-B | Diastereoselective polysubstituted naphthenic compound and preparation method thereof | 南京工业大学 | 2022-10-18 | — | — | CN | disclosed |
| CN-113336786-A | Diastereoselective polysubstituted naphthenic compound and preparation method thereof | 南京工业大学 | 2021-09-03 | — | — | CN | disclosed |