⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL797108 | 1.00 | — | — | |
| SCHEMBL561949 | 0.79 | PIM1 (0.33) | — | |
| SCHEMBL2250516 | 0.79 | CA12 (0.34) | — | |
| SCHEMBL180273 | 0.79 | CYP1A2 (0.32) | — | |
| SCHEMBL8634190 | 0.79 | PIM1 (0.33) | — | |
| SCHEMBL21527922 | 0.79 | — | — | |
| SCHEMBL1950685 | 0.79 | — | — | |
| SCHEMBL29367291 | 0.79 | CYP1A2 (0.32) | — | |
| SCHEMBL11056671 | 0.79 | — | — | |
| SCHEMBL7526395 | 0.77 | PIM1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118684589-A | Preparation method of iodine-containing polyol | 宁波贝昂生物材料有限公司 | 2024-09-24 | — | — | CN | disclosed |
| CN-118684589-A | Preparation method of iodine-containing polyol | 宁波贝昂生物材料有限公司 | 2024-09-24 | — | — | CN | disclosed |