⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30679086 | 0.94 | — | — | |
| SCHEMBL31190436 | 0.93 | — | — | |
| SCHEMBL31121640 | 0.93 | — | — | |
| Propene SCHEMBL27754742 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL5634835 | 0.71 | — | — | |
| SCHEMBL29059777 | 0.67 | — | — | |
| SCHEMBL27611847 | 0.67 | SLC6A2 (0.30) | — | |
| SCHEMBL27940448 | 0.66 | — | — | |
| SCHEMBL11620416 | 0.64 | LMNA (0.38) | — | |
| SCHEMBL11572279 | 0.64 | NAAA (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118908961-A | Imidazodiazepine diketones and methods of use thereof | 金翅雀生物公司 | 2024-11-08 | — | — | CN | disclosed |
| CN-112351781-B | Imidazodiazepine diketones and methods of use thereof | 金翅雀生物公司 | 2024-07-02 | — | — | CN | disclosed |
| CN-113166150-B | Substituted xanthine derivatives | 勃林格殷格翰国际有限公司 | 2023-12-01 | — | — | CN | disclosed |