⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28325001 | 0.97 | DGAT1 (0.42) | — | |
| SCHEMBL30234788 | 0.97 | DGAT1 (0.42) | — | |
| SCHEMBL28902273 | 0.97 | DGAT1 (0.42) | — | |
| SCHEMBL3094 | 0.97 | — | — | |
| Methylamine SCHEMBL25305181 | 0.94 | DGAT1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL8549932 | 0.94 | DGAT1 (0.40) | — | |
| Bromide SCHEMBL30216953 | 0.94 | — | — | |
| SCHEMBL28616368 | 0.94 | — | — | |
| Potassium SCHEMBL29411221 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL28861724 | 0.94 | — | — |
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-117642408-A | Selenium-containing heterocyclic compound, and pharmaceutical composition and application thereof | 暨南大学 | 2024-03-01 | — | — | CN | disclosed |
| CN-116444494-A | Compound for targeted degradation of BUB1B and BUB1 protein, and preparation method and application thereof | 浙江大学 | 2023-07-18 | — | — | CN | disclosed |