⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27265133 | 0.94 | — | — | |
| SCHEMBL30750451 | 0.94 | — | — | |
| SCHEMBL27265145 | 0.94 | — | — | |
| SCHEMBL27265148 | 0.93 | — | — | |
| SCHEMBL27276132 | 0.91 | — | — | |
| SCHEMBL30805095 | 0.86 | TRPA1 (0.32) | — | |
| SCHEMBL27265232 | 0.86 | TRPA1 (0.32) | — | |
| SCHEMBL30750020 | 0.84 | TRPA1 (0.31) | — | |
| SCHEMBL30217304 | 0.84 | TRPA1 (0.33) | — | |
| SCHEMBL27265135 | 0.84 | TRPA1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250248975-A1 | MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF | SCHRODINGER, LLC | 2025-08-07 | — | — | US | disclosed |
| US-20250197420-A1 | MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2025-06-19 | — | — | US | disclosed |
| WO-2024054845-A1 | MACROCYCIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF | SIONNA THERAPEUTICS (US) | 2024-03-14 | — | — | WO | disclosed |
| WO-2024054845-A1 | MACROCYCIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF | SIONNA THERAPEUTICS (US) | 2024-03-14 | — | — | WO | disclosed |
| WO-2024054851-A1 | MACROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USING THEREOF | SIONNA THERAPEUTICS (US) | 2024-03-14 | — | — | WO | disclosed |