⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1666449 | 1.00 | — | — | |
| SCHEMBL51838 | 1.00 | — | — | |
| SCHEMBL3295484 | 1.00 | — | — | |
| SCHEMBL28501013 | 0.98 | GABRP (0.41) | — | |
| SCHEMBL3934728 | 0.86 | THRB (0.42) | — | |
| SCHEMBL15043867 | 0.86 | THRB (0.42) | — | |
| SCHEMBL535720 | 0.86 | THRB (0.42) | — | |
| SCHEMBL6126 | 0.84 | GABRP (0.46) | — | |
| SCHEMBL29174145 | 0.84 | POLB (0.42) | — | |
| SCHEMBL301495 | 0.78 | — | — |
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-115197036-A | Method for carrying out anti-Ma hydrocarboxylation reaction on olefin compound and carbon dioxide by photocatalysis | 中国科学院理化技术研究所 | 2022-10-18 | — | — | CN | disclosed |