⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13627004 | 0.81 | — | — | |
| SCHEMBL14500148 | 0.81 | — | — | |
| SCHEMBL1764477 | 0.81 | — | — | |
| SCHEMBL14500149 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL29806287 | 0.79 | SLC6A1 (0.63) | — | |
| SCHEMBL28943669 | 0.79 | SLC6A1 (0.52) | — | |
| SCHEMBL27698763 | 0.79 | SLC6A1 (0.52) | — | |
| SCHEMBL27698768 | 0.79 | SLC6A1 (0.52) | — | |
| SCHEMBL21923176 | 0.79 | SLC6A1 (0.52) | — | |
| SCHEMBL4754549 | 0.78 | KDM4E (0.64) | — |
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-118005640-A | GCN2 inhibitors and uses thereof | 默克专利股份有限公司 | 2024-05-10 | — | — | CN | disclosed |