⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15147247 | 0.73 | — | — | |
| SCHEMBL10948523 | 0.73 | — | — | |
| SCHEMBL17297267 | 0.73 | — | — | |
| SCHEMBL1252396 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL1252394 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL21884169 | 0.67 | — | — | |
| SCHEMBL28170762 | 0.67 | — | — | |
| SCHEMBL4527143 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL26101954 | 0.67 | — | — | |
| SCHEMBL9680205 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022068848-A1 | 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF | BEIGENE, LTD. (KY) | 2022-04-07 | — | — | WO | disclosed |
| US-7271176-B2 | Chemokine receptor antagonists and methods of use thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-09-18 | — | — | US | disclosed |