⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35176 | 1.00 | — | — | |
| Water SCHEMBL5669355 | 0.97 | — | — | |
| Iodide SCHEMBL8151273 | 0.97 | MEN1 (0.39) | — | |
| SCHEMBL8901949 | 0.97 | MEN1 (0.39) | — | |
| Iodide SCHEMBL359425 | 0.97 | — | — | |
| SCHEMBL8901943 | 0.97 | MEN1 (0.39) | — | |
| Bromide SCHEMBL556902 | 0.97 | — | — | |
| Fluoride Ion SCHEMBL1896493 | 0.97 | — | — | |
| SCHEMBL31000062 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28957928 | 0.97 | — | — |
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 2 patents. 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 | claimed |
| CN-111511871-A | Enhanced ice melting composition saturation and methods of use | 巴斯夫欧洲公司 | 2020-08-07 | — | — | CN | disclosed |