⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25801394 | 0.84 | — | — | |
| SCHEMBL24151927 | 0.83 | PDCD1 (0.33) | — | |
| SCHEMBL24151357 | 0.83 | PDCD1 (0.34) | — | |
| SCHEMBL24152313 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL24152323 | 0.76 | — | — | |
| SCHEMBL24151872 | 0.73 | PDE10A (0.38) | — | |
| SCHEMBL24151050 | 0.71 | PDE10A (0.30) | — | |
| SCHEMBL24151359 | 0.70 | KDM4E (0.30) | — | |
| SCHEMBL30218972 | 0.70 | KDM4E (0.30) | — | |
| SCHEMBL18319897 | 0.70 | KDM4E (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230212180-A1 | SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-07-06 | — | — | US | disclosed |
| US-20230212180-A1 | SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-07-06 | — | — | US | disclosed |