⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2620674 | 0.81 | — | — | |
| SCHEMBL12649263 | 0.76 | — | — | |
| SCHEMBL10061918 | 0.76 | — | — | |
| SCHEMBL10062258 | 0.74 | SLC6A4 (0.31) | — | |
| SCHEMBL16748994 | 0.74 | — | — | |
| SCHEMBL12872408 | 0.70 | — | — | |
| SCHEMBL24801107 | 0.70 | — | — | |
| SCHEMBL8716314 | 0.69 | — | — | |
| SCHEMBL12685966 | 0.68 | — | — | |
| SCHEMBL24315841 | 0.68 | GAA (0.32) | — |
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-20220185809-A1 | SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS | REPARE THERAPEUTICS INC. (CA) | 2022-06-16 | — | — | US | disclosed |
| US-20210177856-A1 | USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS | REPARE THERAPEUTICS INC. (CA) | 2021-06-17 | — | — | US | disclosed |