⚠ 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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL28212715 | 0.89 | — | — | |
| Fluoride Ion SCHEMBL21493304 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL16859738 | 0.80 | — | — | |
| Fluoride Ion SCHEMBL31339494 | 0.78 | — | — | |
| Fluoride Ion SCHEMBL29370208 | 0.78 | — | — | |
| Fluoride Ion SCHEMBL23880276 | 0.78 | — | — | |
| Fluoride Ion SCHEMBL18695528 | 0.78 | — | — | |
| Fluoride Ion SCHEMBL21493371 | 0.78 | — | — | |
| Fluoride Ion SCHEMBL28705571 | 0.78 | — | — | |
| Fluoride Ion SCHEMBL26601164 | 0.78 | — | — |
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-111411372-B | Preparation method of rare earth iron alloy | 包头稀土研究院 | 2022-04-29 | — | — | CN | disclosed |