⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17667648 | 0.90 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL28876283 | 0.73 | USP2 (0.34) | — | |
| SCHEMBL16681422 | 0.70 | LMNA (0.36) | — | |
| SCHEMBL6214508 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL28838918 | 0.67 | RIPK1 (0.33) | — | |
| SCHEMBL25262914 | 0.66 | — | — | |
| SCHEMBL28887454 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL1455883 | 0.62 | — | — | |
| SCHEMBL17491127 | 0.62 | PIK3CD (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL28819769 | 0.61 | PIK3CD (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2751088-B1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2016-04-13 | — | — | EP | disclosed |