⚠ 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL27580267 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL459043 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL28460951 | 0.95 | ALDH1A1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL3139103 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28743568 | 0.90 | ALDH1A1 (0.33) | — | |
| Bromide SCHEMBL9505306 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL28232935 | 0.90 | — | — | |
| Fluoride SCHEMBL16323575 | 0.90 | ALDH1A1 (0.33) | — | |
| Phosphine SCHEMBL27826924 | 0.90 | — | — | |
| Bromide SCHEMBL28005793 | 0.90 | ALDH1A1 (0.33) | — |
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-108467594-A | A kind of phosphorus nitrogen expansion type combustion inhibitor and its preparation and the application in polypropylene | 长春工业大学 | 2018-08-31 | — | — | CN | claimed |