⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28825764 | 0.89 | — | — | |
| SCHEMBL17416791 | 0.74 | — | — | |
| SCHEMBL1356871 | 0.74 | — | — | |
| SCHEMBL14889806 | 0.70 | — | — | |
| SCHEMBL162755 | 0.70 | — | — | |
| SCHEMBL23482999 | 0.70 | — | — | |
| SCHEMBL29146078 | 0.70 | — | — | |
| SCHEMBL14890299 | 0.70 | — | — | |
| SCHEMBL29209316 | 0.70 | — | — | |
| SCHEMBL19190747 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109851764-A | Preparation method of polylactone | 南京工业大学 | 2019-06-07 | — | — | CN | claimed |
| CN-115947934-A | Catalyst for preparing polyester by ring-opening polymerization and preparation method of polyester | 南京工业大学 | 2023-04-11 | — | — | CN | disclosed |