⚠ 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 SCHEMBL216793 | 1.00 | — | — | |
| Fluoride Ion SCHEMBL18109917 | 0.82 | — | — | |
| Water SCHEMBL29268726 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL6701345 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL28649185 | 0.82 | — | — | |
| Fluoride SCHEMBL3284423 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL7254243 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL1802640 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL10984089 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL27542791 | 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-117919153-A | Anti-allergy and anti-redness compound extracting solution and preparation method thereof | 西安洛迦生物技术有限公司 | 2024-04-26 | — | — | CN | disclosed |