⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28261255 | 1.00 | — | — | |
| SCHEMBL28259801 | 1.00 | — | — | |
| SCHEMBL396351 | 1.00 | — | — | |
| SCHEMBL3317273 | 0.82 | — | — | |
| Fluoride SCHEMBL9065602 | 0.82 | — | — | |
| SCHEMBL3742488 | 0.82 | — | — | |
| SCHEMBL5252186 | 0.82 | — | — | |
| SCHEMBL16178192 | 0.82 | — | — | |
| SCHEMBL11072161 | 0.82 | — | — | |
| Water SCHEMBL21145533 | 0.82 | — | — |
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-115786927-A | Method for extracting carbide in tantalum-niobium-containing alloy | 西北有色金属研究院 | 2023-03-14 | — | — | CN | disclosed |