⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28860049 | 0.89 | — | — | |
| SCHEMBL27767476 | 0.89 | — | — | |
| SCHEMBL27959319 | 0.84 | — | — | |
| SCHEMBL28670408 | 0.80 | — | — | |
| SCHEMBL10489663 | 0.80 | — | — | |
| SCHEMBL28517968 | 0.80 | — | — | |
| SCHEMBL85457 | 0.78 | — | — | |
| SCHEMBL9850301 | 0.73 | — | — | |
| SCHEMBL27861426 | 0.73 | — | — | |
| Phosphine SCHEMBL13723818 | 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-117248134-A | Preparation method of ferrotungsten chromium boron silicon alloy for nuclear fusion reactor shielding | 有研工程技术研究院有限公司 | 2023-12-19 | — | — | CN | disclosed |