⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29143672 | 1.00 | — | — | |
| SCHEMBL29260368 | 1.00 | — | — | |
| SCHEMBL5026578 | 0.78 | — | — | |
| SCHEMBL9218045 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL1704473 | 0.77 | — | — | |
| SCHEMBL2858228 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL3468294 | 0.76 | — | — | |
| SCHEMBL10823193 | 0.76 | — | — | |
| SCHEMBL29260341 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL11551439 | 0.76 | PTGS1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117940438-A | Heterocyclic compounds as MAP4K1 inhibitors | 缆图药品公司 | 2024-04-26 | — | — | CN | disclosed |