⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26090 | 0.62 | — | — | |
| SCHEMBL435414 | 0.61 | — | — | |
| SCHEMBL28335380 | 0.59 | — | — | |
| SCHEMBL11680017 | 0.59 | — | — | |
| SCHEMBL10883224 | 0.57 | — | — | |
| SCHEMBL15110605 | 0.57 | IDO1 (0.39) | — | |
| SCHEMBL4515094 | 0.57 | — | — | |
| SCHEMBL3242470 | 0.57 | CYP19A1 (0.37) | — | |
| SCHEMBL6028634 | 0.56 | — | — | |
| SCHEMBL28695899 | 0.56 | — | — |
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-107207550-B | Metal complexes | 默克专利有限公司 | 2020-06-05 | — | — | CN | disclosed |