⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL151026 | 0.96 | — | — | |
| SCHEMBL29972199 | 0.96 | — | — | |
| SCHEMBL28061703 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL5268997 | 0.92 | — | — | |
| Bromide SCHEMBL27975463 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL15270698 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL160880 | 0.88 | CYP2A6 (0.36) | — | |
| SCHEMBL29007644 | 0.82 | CYP2A6 (0.33) | — | |
| Sulfuric Acid SCHEMBL4275195 | 0.79 | CA5A (0.38) | — | |
| SCHEMBL5666185 | 0.79 | UHRF1 (0.35) | — |
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-113905607-B | Heterocyclic compound and harmful arthropod control composition containing same | 住友化学株式会社 | 2022-12-27 | — | — | CN | disclosed |