⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9716875 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9716822 | 0.77 | — | — | |
| SCHEMBL8891292 | 0.67 | — | — | |
| SCHEMBL1169064 | 0.65 | — | — | |
| SCHEMBL1724780 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL23478346 | 0.62 | — | — | |
| Bromide SCHEMBL19458438 | 0.62 | — | — | |
| Fluoride SCHEMBL19458344 | 0.62 | — | — | |
| Water SCHEMBL19458398 | 0.62 | — | — | |
| Iodide SCHEMBL19458347 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0712383-B1 | BITETRAZOLEAMINE GAS GENERANT COMPOSITIONS AND METHODS OF USE | CORDANT TECH INC (US) | 2000-01-19 | — | — | EP | claimed |