⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL29588113 | 1.00 | — | — | |
| Water SCHEMBL31282575 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL235831 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL17162949 | 0.82 | — | — | |
| Bromide SCHEMBL9725166 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL9492223 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL596588 | 0.82 | — | — | |
| SCHEMBL11035183 | 0.71 | — | — | |
| SCHEMBL30988392 | 0.71 | — | — | |
| Bromide SCHEMBL8172646 | 0.71 | — | — |
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-6028251-A | ENRICHED IN AT LEAST ONE OF ZINC, IRON, POTASSIUM, AND MAGNESIUM IONS; AT LEAST ONE OF COPPER, MANGANESE, STRONTIUM AND LITHIUM IONS; AND AT LEAST ONE OF SELENIUM, MOLYBDENUM, CHROMIUM, ARSENIC, VANADIUM AND COBALT IONS | NUTROPIA ERNAHRUNGSMEDIZINISCHE FORSCHUNGS GMBH (AT) | 2000-02-22 | — | — | US | disclosed |