⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL183395 | 0.75 | — | — | |
| SCHEMBL41818 | 0.74 | KDM4E (0.42) | — | |
| SCHEMBL17428929 | 0.71 | — | — | |
| SCHEMBL5162978 | 0.71 | — | — | |
| SCHEMBL11722067 | 0.70 | TTR (0.68) | — | |
| SCHEMBL11720657 | 0.70 | MAPT (0.59) | — | |
| Acetic Acid SCHEMBL14990893 | 0.69 | KDM4E (0.39) | — | |
| SCHEMBL5402816 | 0.69 | — | — | |
| SCHEMBL2265834 | 0.67 | SLC22A12 (0.40) | — | |
| SCHEMBL16563747 | 0.67 | ALDH1A1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230287297-A1 | Perfume Compositions | GIVAUDAN SA (CH) | 2023-09-14 | — | — | US | disclosed |
| US-11639484-B2 | Perfume compositions | GIVAUDAN SA (CH) | 2023-05-02 | — | — | US | disclosed |
| CN-105053976-B | A kind of mixed bacteria step fermentation thick chilli sauce and preparation method thereof | 广东轻工职业技术学院 | 2017-08-11 | — | — | CN | disclosed |