⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9457578 | 0.70 | — | — | |
| SCHEMBL11398302 | 0.70 | — | — | |
| SCHEMBL3456606 | 0.69 | HCAR2 (0.52) | — | |
| Water SCHEMBL9818035 | 0.67 | HCAR2 (0.50) | — | |
| SCHEMBL944797 | 0.67 | ADORA3 (0.44) | — | |
| SCHEMBL18104371 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL12794631 | 0.67 | HDAC8 (0.32) | — | |
| SCHEMBL6170419 | 0.65 | — | — | |
| SCHEMBL7059382 | 0.63 | NISCH (0.35) | — | |
| SCHEMBL16670211 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4424220-A | 2-HYDROXYPYRAZINE-4-OXIDE | MERCK & CO., INC. (US) | 1984-01-03 | — | — | US | claimed |
| JP-4054180-A | — | — | None | — | — | JP | disclosed |
| JP-H0454180-A | PRODUCTION OF 2-ALKOXYPYRAZINE-4-OXIDE DERIVATIVE | OTSUKA PHARMACEUT CO LTD | 1992-02-21 | — | — | JP | disclosed |
| US-4424220-A | 2-HYDROXYPYRAZINE-4-OXIDE | MERCK & CO., INC. (US) | 1984-01-03 | — | — | US | disclosed |
| JP-H00454180-A | — | — | 0001-01-01 | — | — | JP | disclosed |