⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27390359 | 0.76 | — | — | |
| SCHEMBL9921746 | 0.75 | CTSK (0.42) | — | |
| SCHEMBL9921684 | 0.75 | CTSK (0.42) | — | |
| SCHEMBL9921685 | 0.71 | — | — | |
| SCHEMBL9921960 | 0.66 | CPN1 (0.42) | — | |
| SCHEMBL10177532 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL12908851 | 0.65 | — | — | |
| SCHEMBL9921706 | 0.64 | PIK3CD (0.36) | — | |
| SCHEMBL10225361 | 0.63 | ALDH1A1 (0.40) | — | |
| SCHEMBL23790472 | 0.63 | — | — |
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-20220185809-A1 | SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS | REPARE THERAPEUTICS INC. (CA) | 2022-06-16 | — | — | US | disclosed |