⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2008853 | 1.00 | — | — | |
| SCHEMBL28260668 | 1.00 | — | — | |
| SCHEMBL29046836 | 1.00 | — | — | |
| SCHEMBL28761293 | 0.87 | — | — | |
| SCHEMBL28663066 | 0.87 | — | — | |
| SCHEMBL11515230 | 0.87 | — | — | |
| SCHEMBL11577024 | 0.87 | — | — | |
| SCHEMBL29210701 | 0.87 | — | — | |
| Methane SCHEMBL600407 | 0.87 | — | — | |
| SCHEMBL14739357 | 0.87 | — | — |
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-105779816-A | Ti-Al-Zr ternary alloy target material and preparation method thereof | 上海柯瑞冶金炉料有限公司 | 2016-07-20 | — | — | CN | disclosed |