⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22123534 | 0.90 | PTK6 (0.33) | — | |
| SCHEMBL22123535 | 0.90 | PTK6 (0.33) | — | |
| Formic Acid SCHEMBL30171767 | 0.88 | PTK6 (0.32) | — | |
| SCHEMBL25176001 | 0.87 | — | — | |
| SCHEMBL22123824 | 0.86 | PTK6 (0.37) | — | |
| SCHEMBL30385502 | 0.86 | PTK6 (0.37) | — | |
| SCHEMBL22123823 | 0.86 | PTK6 (0.37) | — | |
| SCHEMBL28982170 | 0.85 | JAK2 (0.33) | — | |
| SCHEMBL28982168 | 0.85 | JAK2 (0.33) | — | |
| SCHEMBL28982227 | 0.85 | JAK2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115916784-A | Novel imidazopyrazine derivatives | 豪夫迈·罗氏有限公司 | 2023-04-04 | — | — | CN | disclosed |