⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28308797 | 0.74 | — | — | |
| SCHEMBL30927080 | 0.74 | — | — | |
| SCHEMBL31280321 | 0.72 | — | — | |
| SCHEMBL3282333 | 0.70 | — | — | |
| SCHEMBL4800047 | 0.70 | — | — | |
| SCHEMBL7041041 | 0.70 | — | — | |
| SCHEMBL1667413 | 0.69 | — | — | |
| SCHEMBL5297786 | 0.65 | — | — | |
| SCHEMBL28461318 | 0.65 | — | — | |
| SCHEMBL8959816 | 0.65 | MAOB (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-117412961-A | Pesticidally active heteroaromatic compounds | 先正达农作物保护股份公司 | 2024-01-16 | — | — | CN | disclosed |