⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34728 | 0.97 | — | — | |
| Fluoride SCHEMBL28432966 | 0.97 | — | — | |
| Water SCHEMBL17764761 | 0.95 | — | — | |
| Water SCHEMBL409262 | 0.95 | — | — | |
| SCHEMBL358045 | 0.95 | — | — | |
| Iodide SCHEMBL379672 | 0.95 | — | — | |
| Fluoride Ion SCHEMBL635143 | 0.95 | — | — | |
| SCHEMBL2021731 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL6297789 | 0.95 | — | — | |
| Iodide SCHEMBL28430983 | 0.95 | — | — |
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-111511871-A | Enhanced ice melting composition saturation and methods of use | 巴斯夫欧洲公司 | 2020-08-07 | — | — | CN | disclosed |