⚠ 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 SCHEMBL299161 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL11156102 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL11784261 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL4300119 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL29680106 | 0.82 | — | — | |
| Potassium SCHEMBL29386709 | 0.82 | — | — | |
| Potassium SCHEMBL30125387 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL349719 | 0.82 | — | — | |
| Potassium SCHEMBL3166506 | 0.67 | — | — | |
| Fluoride SCHEMBL1565740 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6511674-B1 | Extract of alliin, allicin, diallyl disulfide and dimethyl sulfoxide with a pesticide, miticide, fungicide, antibiotic, herbicide, defoliant, nutrient, adjuvant or water; higher concentration; chemically stable | ARAND ANTHONY (US) | 2003-01-28 | — | — | US | disclosed |
| US-6488950-B1 | PREDETERMINED CONCENTRATION OF GARLIC EXTRACT | ARAND ANTHONY (US) | 2002-12-03 | — | — | US | disclosed |