⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7094361 | 0.82 | — | — | |
| SCHEMBL4736964 | 0.79 | — | — | |
| Water SCHEMBL27783701 | 0.77 | — | — | |
| SCHEMBL27296600 | 0.77 | CA12 (0.40) | — | |
| SCHEMBL3694091 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL3698965 | 0.71 | — | — | |
| SCHEMBL7090588 | 0.68 | TSHR (0.44) | — | |
| SCHEMBL4066107 | 0.67 | — | — | |
| SCHEMBL18427244 | 0.67 | — | — | |
| SCHEMBL19774670 | 0.67 | — | — |
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-113866245-B | Method for distinguishing R-binaphthol and isomer S-binaphthol thereof | 安徽大学 | 2024-04-02 | — | — | CN | disclosed |