⚠ 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 SCHEMBL191312 | 0.75 | — | — | |
| SCHEMBL9005869 | 0.67 | — | — | |
| SCHEMBL15214910 | 0.65 | — | — | |
| SCHEMBL28313926 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL29229738 | 0.64 | — | — | |
| Lithium Ion SCHEMBL28162350 | 0.61 | — | — | |
| Ammonia Solution, Strong SCHEMBL4750410 | 0.61 | — | — | |
| SCHEMBL28997917 | 0.61 | — | — | |
| Ammonia Solution, Strong SCHEMBL6258821 | 0.61 | — | — | |
| Trimetaphosphoric Acid SCHEMBL22554208 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1005377-B | Herbicide composition and method for eliminating harmful weeds using the same | 朝日化成工业株式会社 | 1989-10-11 | — | — | CN | disclosed |