⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19873 | 0.97 | — | — | |
| SCHEMBL7659872 | 0.97 | — | — | |
| Methane SCHEMBL15227989 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL30143496 | 0.94 | — | — | |
| SCHEMBL30449161 | 0.94 | — | — | |
| SCHEMBL31432500 | 0.94 | — | — | |
| Bromide SCHEMBL30480806 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL30045549 | 0.94 | — | — | |
| SCHEMBL9939649 | 0.89 | — | — | |
| Acetone SCHEMBL29249009 | 0.85 | — | — |
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-103889229-B | Agricultural and horticultural bactericide composition | 日本曹达株式会社 | 2016-10-12 | — | — | CN | disclosed |