⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30197787 | 0.80 | — | — | |
| SCHEMBL30197606 | 0.79 | — | — | |
| SCHEMBL30197664 | 0.79 | HAO1 (0.31) | — | |
| SCHEMBL30197648 | 0.78 | — | — | |
| SCHEMBL30197671 | 0.77 | — | — | |
| SCHEMBL30197564 | 0.77 | PDE4B (0.32) | — | |
| SCHEMBL30197659 | 0.76 | — | — | |
| SCHEMBL30197676 | 0.75 | — | — | |
| SCHEMBL30197626 | 0.72 | CCR4 (0.31) | — | |
| SCHEMBL30198031 | 0.72 | PDE4B (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115836041-B | Process for producing optically active compound | 住友化学株式会社 | 2024-09-17 | — | — | CN | disclosed |
| CN-115836041-A | Process for producing optically active compound | 住友化学株式会社 | 2023-03-21 | — | — | CN | disclosed |