⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14083176 | 1.00 | — | — | |
| SCHEMBL10085694 | 0.81 | — | — | |
| SCHEMBL30899565 | 0.79 | — | — | |
| SCHEMBL23280394 | 0.76 | CA1 (0.38) | — | |
| SCHEMBL19872985 | 0.76 | NPC1 (0.35) | — | |
| SCHEMBL473005 | 0.75 | — | — | |
| SCHEMBL31308703 | 0.73 | LMNA (0.38) | — | |
| SCHEMBL3983301 | 0.73 | MEN1 (0.60) | — | |
| SCHEMBL31308751 | 0.72 | PDE4A (0.40) | — | |
| SCHEMBL1237633 | 0.70 | CA1 (0.37) | — |
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-113874368-B | Herbicidal compounds | 先正达农作物保护股份公司 | 2024-03-08 | — | — | CN | disclosed |