⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22926524 | 1.00 | — | — | |
| SCHEMBL11180440 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL29161648 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL913155 | 0.83 | — | — | |
| SCHEMBL24269952 | 0.83 | — | — | |
| SCHEMBL20052992 | 0.83 | — | — | |
| SCHEMBL9352724 | 0.75 | TTR (0.38) | — | |
| SCHEMBL21485047 | 0.72 | — | — | |
| SCHEMBL1564865 | 0.72 | — | — | |
| SCHEMBL12001818 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023193114-A1 | METHODS OF USING ATR INHIBITORS | REPARE THERAPEUTICS INC. (CA) | 2023-10-12 | — | — | WO | disclosed |
| US-11643416-B2 | Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors | G1 THERAPEUTICS, INC. (US) | 2023-05-09 | — | — | US | disclosed |
| 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-20210177856-A1 | USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS | REPARE THERAPEUTICS INC. (CA) | 2021-06-17 | — | — | US | disclosed |