⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7123445 | 0.77 | — | — | |
| SCHEMBL6240283 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL18292088 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL15139518 | 0.59 | — | — | |
| SCHEMBL27696073 | 0.57 | — | — | |
| SCHEMBL3961837 | 0.56 | TSHR (0.42) | — | |
| SCHEMBL14832691 | 0.54 | — | — | |
| Tetrahydrofuran SCHEMBL6298732 | 0.47 | — | — | |
| Tetrahydrofuran SCHEMBL130914 | 0.47 | — | — | |
| SCHEMBL18185998 | 0.47 | ALDH1A1 (0.46) | — |
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-118852238-A | Germanium-substituted polymethylene borate compound and preparation method thereof | 南方科技大学 | 2024-10-29 | — | — | CN | disclosed |