⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2417544 | 0.79 | — | — | |
| SCHEMBL12696635 | 0.75 | — | — | |
| SCHEMBL18903921 | 0.72 | — | — | |
| SCHEMBL13243748 | 0.72 | — | — | |
| SCHEMBL13067939 | 0.72 | — | — | |
| SCHEMBL15147080 | 0.71 | — | — | |
| SCHEMBL19186361 | 0.71 | — | — | |
| SCHEMBL20066990 | 0.71 | — | — | |
| SCHEMBL16301935 | 0.71 | — | — | |
| SCHEMBL15291402 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114989890-A | Cumin essential oil and preparation method and application thereof | 湖南诺泽生物科技有限公司 | 2022-09-02 | — | — | CN | claimed |
| CN-114805118-B | Perillaldehyde derivative and preparation method and application thereof | 广西大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-114668004-B | Application of perillaldehyde in preparation of bactericide for preventing and treating plant diseases | 青岛农业大学 | 2023-05-30 | — | — | CN | disclosed |
| CN-114989890-A | Cumin essential oil and preparation method and application thereof | 湖南诺泽生物科技有限公司 | 2022-09-02 | — | — | CN | disclosed |
| CN-114805118-A | Perilla aldehyde derivative and preparation method and application thereof | 广西大学 | 2022-07-29 | — | — | CN | disclosed |
| CN-114668004-A | Application of perillaldehyde in preparation of bactericide for preventing and treating plant diseases | 青岛农业大学 | 2022-06-28 | — | — | CN | disclosed |
| CN-109549129-B | Preparation method of instant whitebait | 江苏省农业科学院 | 2022-03-15 | — | — | CN | disclosed |
| US-20100226875-A1 | CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES | FIRMENICH SA (CH) | 2010-09-09 | — | — | US | disclosed |