⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28669108 | 0.83 | — | — | |
| SCHEMBL28665909 | 0.77 | HDAC4 (0.32) | — | |
| SCHEMBL28675910 | 0.67 | CA12 (0.32) | — | |
| SCHEMBL29208924 | 0.65 | MAPT (0.38) | — | |
| SCHEMBL29280970 | 0.65 | — | — | |
| SCHEMBL22498617 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL28675909 | 0.62 | CLK4 (0.30) | — | |
| SCHEMBL22498618 | 0.61 | — | — | |
| SCHEMBL21326140 | 0.60 | CYP2A6 (0.37) | — | |
| SCHEMBL30041362 | 0.58 | HSD17B10 (0.33) | — |
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-113661165-A | Pesticidally active diazine-amide compounds | 先正达农作物保护股份公司 | 2021-11-16 | — | — | CN | disclosed |