⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28182034 | 0.94 | TSHR (0.56) | — | |
| SCHEMBL30184 | 0.94 | — | — | |
| SCHEMBL3104899 | 0.94 | — | — | |
| Fluoromethane SCHEMBL28132872 | 0.89 | — | — | |
| SCHEMBL9731838 | 0.89 | TSHR (0.50) | — | |
| Methane SCHEMBL28027497 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28182033 | 0.89 | — | — | |
| Water SCHEMBL8946414 | 0.89 | — | — | |
| Fluoride SCHEMBL8459296 | 0.89 | — | — | |
| SCHEMBL8718302 | 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-109069992-A | Hydrochloric acid purification method and apparatus | 阿科玛法国公司 | 2018-12-21 | — | — | CN | disclosed |