⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL724833 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL722755 | 0.92 | — | — | |
| Sulfuric Acid SCHEMBL11647337 | 0.88 | CA5A (0.46) | — | |
| Butane SCHEMBL9316266 | 0.79 | CA2 (0.37) | — | |
| Sulfuric Acid SCHEMBL11443059 | 0.72 | CA5A (0.46) | — | |
| SCHEMBL3380340 | 0.72 | — | — | |
| SCHEMBL31504062 | 0.67 | CA2 (0.47) | — | |
| Sulfuric Acid SCHEMBL9767512 | 0.66 | CA5A (0.86) | — | |
| Sulfuric Acid SCHEMBL29412665 | 0.66 | — | — | |
| Sulfuric Acid SCHEMBL30274520 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4992119-A | Explosive comprising a mixture of a nitrate-oil explosive and a water-in-oil emulsion explosive, and a method for its manufacture | NORSK HYDRO A.S. (NO) | 1991-02-12 | — | — | US | disclosed |