⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3488161 | 0.94 | — | — | |
| SCHEMBL444196 | 0.94 | — | — | |
| Bromide SCHEMBL8898640 | 0.88 | — | — | |
| SCHEMBL16531901 | 0.88 | — | — | |
| SCHEMBL3243495 | 0.88 | CA1 (0.75) | — | |
| SCHEMBL4435747 | 0.88 | — | — | |
| SCHEMBL166 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL9603278 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL11125687 | 0.82 | — | — | |
| SCHEMBL10495950 | 0.80 | — | — |
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-5125684-A | Oxidizer salt, cellulose-based binder and non-azide type propellant to produce nitrogen | HERCULES INCORPORATED (US) | 1992-06-30 | — | — | US | disclosed |