⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7268279 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL9594434 | 0.74 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL11841772 | 0.70 | — | — | |
| SCHEMBL6530290 | 0.70 | — | — | |
| SCHEMBL1774032 | 0.70 | — | — | |
| SCHEMBL9427893 | 0.70 | — | — | |
| SCHEMBL24211656 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL16984085 | 0.65 | LMNA (0.35) | — | |
| SCHEMBL1414691 | 0.65 | — | — | |
| SCHEMBL29110810 | 0.65 | — | — |
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-117551035-A | Nitrogen-containing trisubstituted olefin compound and preparation method and application thereof | 华南师范大学 | 2024-02-13 | — | — | CN | disclosed |