⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL976452 | 0.75 | — | — | |
| SCHEMBL12464960 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL23988162 | 0.74 | EGLN1 (0.52) | — | |
| SCHEMBL10895675 | 0.70 | ALDH1A1 (0.59) | — | |
| Ammonia Solution, Strong SCHEMBL20903219 | 0.70 | GAA (0.33) | — | |
| SCHEMBL6950834 | 0.69 | ALDH1A1 (0.56) | — | |
| SCHEMBL8295 | 0.69 | — | — | |
| SCHEMBL28763645 | 0.69 | — | — | |
| SCHEMBL3625397 | 0.69 | — | — | |
| SCHEMBL19735727 | 0.69 | — | — |
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-117186015-A | Preparation method of entecavir intermediate | 杭州励德生物科技有限公司 | 2023-12-08 | — | — | CN | claimed |
| CN-117186015-A | Preparation method of entecavir intermediate | 杭州励德生物科技有限公司 | 2023-12-08 | — | — | CN | disclosed |