⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21351779 | 0.83 | ADRA2A (0.32) | — | |
| SCHEMBL16833 | 0.83 | — | — | |
| SCHEMBL11785633 | 0.72 | ADRA2A (0.34) | — | |
| SCHEMBL11785637 | 0.72 | ADRA2A (0.34) | — | |
| SCHEMBL7898761 | 0.70 | — | — | |
| SCHEMBL676811 | 0.70 | — | — | |
| SCHEMBL9039919 | 0.70 | — | — | |
| SCHEMBL27693911 | 0.69 | — | — | |
| SCHEMBL5950777 | 0.69 | — | — | |
| SCHEMBL8754661 | 0.68 | — | — |
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-119137209-A | Composition and method for producing the same | 住友化学株式会社 | 2024-12-13 | — | — | CN | disclosed |