⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3674005 | 0.84 | CHEK1 (0.44) | — | |
| SCHEMBL24414334 | 0.80 | CHEK1 (0.32) | — | |
| SCHEMBL4584646 | 0.74 | — | — | |
| SCHEMBL610366 | 0.72 | — | — | |
| SCHEMBL29413210 | 0.72 | — | — | |
| SCHEMBL24942539 | 0.72 | CHEK1 (0.38) | — | |
| SCHEMBL19011572 | 0.70 | — | — | |
| SCHEMBL617986 | 0.70 | — | — | |
| SCHEMBL21663747 | 0.70 | — | — | |
| SCHEMBL305290 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001009365-A1 | PROCESS FOR THE PREPARATION OF 2-CYANO-5-HYDROXYPYRAZINE | LONZA AG (CH) | 2001-02-08 | — | — | WO | claimed |
| EP-3950692-A1 | NOVEL TRICYCLIC COMPOUNDS | AbbVie Inc. (US) | 2022-02-09 | — | — | EP | disclosed |
| WO-2001009365-A1 | PROCESS FOR THE PREPARATION OF 2-CYANO-5-HYDROXYPYRAZINE | LONZA AG (CH) | 2001-02-08 | — | — | WO | disclosed |
| WO-2001009365-A1 | PROCESS FOR THE PREPARATION OF 2-CYANO-5-HYDROXYPYRAZINE | LONZA AG (CH) | 2001-02-08 | — | — | WO | disclosed |