⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL28551364 | 0.90 | — | — | |
| Ether SCHEMBL422163 | 0.86 | ALDH1A1 (0.40) | — | |
| Ether SCHEMBL3701280 | 0.85 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL96502 | 0.85 | — | — | |
| Ether SCHEMBL3794585 | 0.85 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL8089271 | 0.85 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL9750502 | 0.85 | — | — | |
| Ether SCHEMBL2837591 | 0.85 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL4944310 | 0.83 | ALDH1A1 (0.45) | — | |
| Ether SCHEMBL2702 | 0.81 | — | — |
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-114028366-B | Application of monocyclic monoterpene compound in preparation of anti-senile dementia drugs | 北京中医药大学东直门医院 | 2023-02-28 | — | — | CN | disclosed |
| CN-114028366-A | Application of monocyclic monoterpene compound in preparation of anti-senile dementia drugs | 北京中医药大学东直门医院 | 2022-02-11 | — | — | CN | disclosed |