⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16671400 | 0.71 | — | — | |
| SCHEMBL1454694 | 0.67 | — | — | |
| Malonaldehyde SCHEMBL10949336 | 0.64 | ALDH1A1 (0.42) | — | |
| Malonaldehyde SCHEMBL16287 | 0.64 | — | — | |
| SCHEMBL10948062 | 0.63 | — | — | |
| Malonaldehyde SCHEMBL4259871 | 0.62 | — | — | |
| Malonaldehyde SCHEMBL6877197 | 0.62 | — | — | |
| Malonaldehyde SCHEMBL8182493 | 0.60 | — | — | |
| Malonaldehyde SCHEMBL3130097 | 0.60 | — | — | |
| Malonaldehyde SCHEMBL3334683 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3837250-A1 | PYRAZINE COMPOUNDS AND USES THEREOF | DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) | 2021-06-23 | — | — | EP | claimed |
| WO-2020035052-A1 | PYRAZINE COMPOUNDS AND USES THEREOF | DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) | 2020-02-20 | — | — | WO | claimed |
| EP-3994136-A1 | PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF | BeiGene, Ltd. (KY) | 2022-05-11 | — | — | EP | disclosed |
| WO-2021000925-A1 | PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2021-01-07 | — | — | WO | disclosed |
| CN-1258294-A | 2-oxoimidazole derivs. | BANYU PHARMA CO LTD (JP) | 2000-06-28 | — | — | CN | disclosed |