⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28779460 | 1.00 | — | — | |
| SCHEMBL9283727 | 1.00 | TSHR (0.48) | — | |
| SCHEMBL9283733 | 1.00 | TSHR (0.48) | — | |
| SCHEMBL29596258 | 1.00 | — | — | |
| SCHEMBL130025 | 1.00 | — | — | |
| SCHEMBL130026 | 1.00 | — | — | |
| SCHEMBL31478710 | 0.97 | TSHR (0.52) | — | |
| SCHEMBL31373180 | 0.95 | TSHR (0.50) | — | |
| SCHEMBL28670002 | 0.93 | FASN (0.52) | — | |
| Trimethylammonium SCHEMBL28807624 | 0.93 | ALDH1A1 (0.43) | — |
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-112592326-B | Enantioselective synthesis method of chiral (6Z,9Z) -3, 4-epoxy octadecadiene | 常州大学 | 2022-05-17 | — | — | CN | disclosed |
| CN-112592326-A | Enantioselective synthesis method of chiral (6Z,9Z) -3, 4-epoxy octadecadiene | 常州大学 | 2021-04-02 | — | — | CN | disclosed |