⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30197668 | 0.83 | TSHR (0.34) | — | |
| SCHEMBL30197637 | 0.83 | — | — | |
| SCHEMBL30197888 | 0.79 | — | — | |
| SCHEMBL30197729 | 0.78 | CCR4 (0.30) | — | |
| SCHEMBL30197750 | 0.78 | CCR4 (0.30) | — | |
| SCHEMBL30197763 | 0.75 | PDE4B (0.30) | — | |
| SCHEMBL30197732 | 0.75 | — | — | |
| SCHEMBL30197675 | 0.74 | CCR4 (0.31) | — | |
| SCHEMBL31231480 | 0.71 | MEN1 (0.38) | — | |
| SCHEMBL30197654 | 0.69 | CCR4 (0.32) | — |
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-115836041-A | Process for producing optically active compound | 住友化学株式会社 | 2023-03-21 | — | — | CN | disclosed |