⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10414406 | 0.94 | — | — | |
| SCHEMBL26596843 | 0.90 | — | — | |
| SCHEMBL21565390 | 0.88 | — | — | |
| SCHEMBL13438489 | 0.87 | KDM4E (0.30) | — | |
| SCHEMBL23367696 | 0.77 | — | — | |
| SCHEMBL27995119 | 0.77 | — | — | |
| SCHEMBL12470796 | 0.77 | — | — | |
| SCHEMBL14213784 | 0.75 | — | — | |
| SCHEMBL9832575 | 0.75 | — | — | |
| SCHEMBL18882991 | 0.75 | LMNA (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117486811-A | Method for selectively forming substituted pyrazines | R.J.雷诺兹烟草公司 | 2024-02-02 | — | — | CN | claimed |
| CN-110637012-B | Method for selectively forming substituted pyrazines | R.J.雷诺兹烟草公司 | 2023-11-24 | — | — | CN | claimed |
| CN-117486811-A | Method for selectively forming substituted pyrazines | R.J.雷诺兹烟草公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-110637012-B | Method for selectively forming substituted pyrazines | R.J.雷诺兹烟草公司 | 2023-11-24 | — | — | CN | disclosed |