⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19417870 | 0.83 | — | — | |
| SCHEMBL1224461 | 0.80 | — | — | |
| SCHEMBL16877327 | 0.76 | TTR (0.42) | — | |
| SCHEMBL22926475 | 0.74 | LMNA (0.32) | — | |
| SCHEMBL16503411 | 0.69 | — | — | |
| SCHEMBL25423093 | 0.69 | — | — | |
| SCHEMBL23514937 | 0.69 | OPRM1 (0.31) | — | |
| SCHEMBL16877463 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL16877554 | 0.67 | — | — | |
| SCHEMBL24269654 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2021012049-A1 | SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS | REPARE THERAPEUTICS INC. (CA) | 2021-01-28 | — | — | WO | disclosed |