⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19169614 | 0.83 | — | — | |
| SCHEMBL24893685 | 0.78 | — | — | |
| SCHEMBL21134082 | 0.73 | — | — | |
| SCHEMBL24893802 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL28199376 | 0.69 | — | — | |
| SCHEMBL14707835 | 0.66 | — | — | |
| SCHEMBL24322964 | 0.66 | — | — | |
| SCHEMBL14707836 | 0.66 | — | — | |
| SCHEMBL14707833 | 0.66 | — | — | |
| SCHEMBL14707846 | 0.66 | — | — |
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-103535678-B | The purposes and fragrance and/or flavor substance composition for the reagent that the cyclonene limited strengthens as olfactory impression superadditivity | 西姆莱斯有限公司 | 2018-03-02 | — | — | CN | disclosed |