⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28030213 | 0.96 | NFKB1 (1.00) | — | |
| SCHEMBL1658 | 0.96 | — | — | |
| Water SCHEMBL571469 | 0.92 | — | — | |
| Iodide SCHEMBL28165699 | 0.92 | — | — | |
| Sulfur Dioxide SCHEMBL10838367 | 0.85 | — | — | |
| Methylene Chloride SCHEMBL28154789 | 0.82 | — | — | |
| SCHEMBL27947720 | 0.72 | — | — | |
| Diacetamide SCHEMBL29235218 | 0.70 | — | — | |
| SCHEMBL5754147 | 0.69 | — | — | |
| SCHEMBL28894528 | 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-105188696-A | Gamma-diketones as WNT/beta -catenin signaling pathway activators | SAMUMED LLC | 2015-12-23 | — | — | CN | disclosed |