⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28031822 | 0.82 | — | — | |
| SCHEMBL28144120 | 0.82 | — | — | |
| SCHEMBL28148413 | 0.82 | — | — | |
| SCHEMBL27268003 | 0.77 | — | — | |
| SCHEMBL28147340 | 0.73 | — | — | |
| SCHEMBL28171844 | 0.73 | — | — | |
| SCHEMBL28062768 | 0.71 | — | — | |
| SCHEMBL28077486 | 0.67 | — | — | |
| SCHEMBL28386051 | 0.61 | — | — | |
| SCHEMBL28213110 | 0.61 | — | — |
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-105021591-B | A kind of method of silicomanganese phosphorus molybdenum copper titanium magnesium lanthanum cerium yttrium content in measurement cast iron | 上海电气电站设备有限公司 | 2019-01-04 | — | — | CN | disclosed |