⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27959947 | 0.91 | CA1 (0.36) | — | |
| SCHEMBL29438154 | 0.91 | CA1 (0.36) | — | |
| SCHEMBL29438160 | 0.91 | CA1 (0.36) | — | |
| SCHEMBL22714412 | 0.91 | CA1 (0.36) | — | |
| SCHEMBL27959827 | 0.91 | CA1 (0.36) | — | |
| SCHEMBL31468670 | 0.90 | CA1 (0.30) | — | |
| SCHEMBL31468675 | 0.88 | PPOX (0.30) | — | |
| SCHEMBL31468701 | 0.88 | — | — | |
| SCHEMBL31468711 | 0.88 | — | — | |
| SCHEMBL31468695 | 0.86 | PPOX (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119661458-A | N-phenyl triazinone derivative and preparation method and application thereof | 贵州大学 | 2025-03-21 | — | — | CN | claimed |
| CN-119661458-A | N-phenyl triazinone derivative and preparation method and application thereof | 贵州大学 | 2025-03-21 | — | — | CN | disclosed |