⚠ 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 SCHEMBL37060 | 1.00 | — | — | |
| Fluoride SCHEMBL29195689 | 1.00 | — | — | |
| Fluoride SCHEMBL6284612 | 0.82 | — | — | |
| Fluoride SCHEMBL11678521 | 0.82 | — | — | |
| Fluoride SCHEMBL10824557 | 0.82 | — | — | |
| Fluoride SCHEMBL8050421 | 0.82 | — | — | |
| Fluoride SCHEMBL8959200 | 0.82 | — | — | |
| Fluoride SCHEMBL8615884 | 0.82 | — | — | |
| Fluoride SCHEMBL9749579 | 0.82 | — | — | |
| Fluoride SCHEMBL15193463 | 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-105556291-B | Method for laser-induced breakdown spectrometer in air | 激光测距光谱有限公司 | 2018-05-29 | — | — | CN | disclosed |