⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19616400 | 0.94 | — | — | |
| SCHEMBL15022386 | 0.92 | DRD1 (0.32) | — | |
| SCHEMBL15022387 | 0.92 | DRD1 (0.32) | — | |
| SCHEMBL29367933 | 0.92 | DRD1 (0.32) | — | |
| SCHEMBL16417051 | 0.92 | DRD1 (0.32) | — | |
| SCHEMBL15023446 | 0.85 | CETP (0.32) | — | |
| SCHEMBL17698488 | 0.85 | CETP (0.32) | — | |
| SCHEMBL29367765 | 0.85 | CETP (0.32) | — | |
| SCHEMBL15023447 | 0.85 | CETP (0.32) | — | |
| SCHEMBL16417056 | 0.83 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116969925-A | Heteroaryl-triazole compounds | 拜耳公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-116925043-A | Heteroaryl-triazole compounds | 拜耳公司 | 2023-10-24 | — | — | CN | disclosed |
| CN-116234444-A | Mixtures with insecticidal activity comprising sulfur-containing heterocyclylalkoxy compounds, oxides or salts thereof | 皮埃企业有限公司 | 2023-06-06 | — | — | CN | disclosed |