⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16151463 | 1.00 | — | — | |
| SCHEMBL7199479 | 1.00 | — | — | |
| Ethylene Glycol SCHEMBL28420640 | 0.98 | NPC1 (0.41) | — | |
| SCHEMBL15048937 | 0.93 | — | — | |
| SCHEMBL1117680 | 0.93 | — | — | |
| SCHEMBL13766051 | 0.93 | — | — | |
| SCHEMBL6907617 | 0.91 | CA1 (0.51) | — | |
| SCHEMBL5873450 | 0.91 | CA1 (0.51) | — | |
| SCHEMBL6902606 | 0.91 | CA1 (0.51) | — | |
| SCHEMBL7705041 | 0.84 | — | — |
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-106946823-B | Method for asymmetric synthesis of (R) -natural jasminolide | 北京安胜瑞力科技有限公司 | 2022-07-15 | — | — | CN | disclosed |