⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3988094 | 0.82 | — | — | |
| SCHEMBL27290219 | 0.71 | — | — | |
| SCHEMBL29525828 | 0.71 | — | — | |
| SCHEMBL3888570 | 0.71 | — | — | |
| Bromide SCHEMBL23853038 | 0.50 | CA4 (0.33) | — | |
| Iodide SCHEMBL9488940 | 0.50 | CA4 (0.33) | — | |
| SCHEMBL7157875 | 0.50 | — | — | |
| SCHEMBL10615907 | 0.50 | — | — | |
| Fluoride Ion SCHEMBL5581 | 0.50 | — | — | |
| Water SCHEMBL19026 | 0.50 | — | — |
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-111454144-B | Method for producing adipic acid from 1, 6-hexanediol | 阿彻丹尼尔斯米德兰公司 | 2024-11-15 | — | — | CN | disclosed |