⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6630367 | 0.81 | — | — | |
| Niacinamide SCHEMBL29603013 | 0.79 | — | — | |
| SCHEMBL17247711 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL29435156 | 0.77 | — | — | |
| SCHEMBL1582413 | 0.77 | — | — | |
| SCHEMBL27941413 | 0.77 | — | — | |
| SCHEMBL415017 | 0.77 | — | — | |
| SCHEMBL3069010 | 0.77 | — | — | |
| SCHEMBL31404951 | 0.77 | — | — | |
| SCHEMBL8692651 | 0.77 | — | — |
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-113906024-B | Condensed heterocyclic compound having nitrogen atom in crosslinking part, salt thereof, agricultural and horticultural insecticide containing the same, and method for using the same | 日本农药株式会社 | 2023-10-20 | — | — | CN | disclosed |