⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21507675 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL2606457 | 0.72 | — | — | |
| SCHEMBL2606459 | 0.72 | — | — | |
| SCHEMBL1244002 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL19086802 | 0.69 | — | — | |
| SCHEMBL23711518 | 0.69 | — | — | |
| SCHEMBL2273358 | 0.69 | — | — | |
| SCHEMBL16018851 | 0.69 | — | — | |
| SCHEMBL22137846 | 0.67 | — | — | |
| SCHEMBL21916823 | 0.67 | — | — |
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 1 patent. 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 |