⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL182308 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL8386379 | 0.95 | — | — | |
| SCHEMBL32679736 | 0.95 | — | — | |
| Hydrogen Sulfide SCHEMBL23406675 | 0.95 | ALDH1A1 (0.52) | — | |
| Hydrogen Sulfide SCHEMBL23406511 | 0.95 | ALDH1A1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL9573328 | 0.93 | ALDH1A1 (0.50) | — | |
| SCHEMBL7110229 | 0.90 | — | — | |
| SCHEMBL84084 | 0.90 | — | — | |
| Hydrogen Sulfide SCHEMBL23406476 | 0.88 | TRPA1 (0.52) | — | |
| Hydrogen Sulfide SCHEMBL23406532 | 0.88 | TRPA1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025063272-A1 | NICOTINAMIDE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL PLANT DISEASE CONTROL AGENT | クミアイ化学工業株式会社 | 2025-03-27 | — | — | WO | disclosed |