⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27267390 | 1.00 | — | — | |
| SCHEMBL27678981 | 0.97 | — | — | |
| Thiophene SCHEMBL28203176 | 0.84 | SLC6A2 (0.33) | — | |
| SCHEMBL225226 | 0.74 | — | — | |
| SCHEMBL6708530 | 0.74 | — | — | |
| SCHEMBL29053178 | 0.74 | — | — | |
| SCHEMBL6708838 | 0.74 | — | — | |
| SCHEMBL847209 | 0.74 | — | — | |
| SCHEMBL28838392 | 0.72 | — | — | |
| Phosphine SCHEMBL27751985 | 0.72 | — | — |
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-108822072-A | A method of preparing Yi Ligelusita | 中国医学科学院药物研究所 | 2018-11-16 | — | — | CN | claimed |
| CN-108822072-B | Method for preparing Elligusurgitol | 中国医学科学院药物研究所 | 2021-01-12 | — | — | CN | disclosed |