⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20746768 | 0.91 | ELANE (0.30) | — | |
| SCHEMBL20746747 | 0.85 | ELANE (0.31) | — | |
| SCHEMBL21299986 | 0.78 | ELANE (0.31) | — | |
| SCHEMBL21698575 | 0.77 | HDAC3 (0.37) | — | |
| SCHEMBL20746766 | 0.72 | HDAC3 (0.38) | — | |
| SCHEMBL14829667 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL14838574 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL20746753 | 0.69 | MIF (0.37) | — | |
| SCHEMBL21698572 | 0.69 | ELANE (0.32) | — | |
| SCHEMBL24038574 | 0.68 | HDAC1 (0.48) | — |
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-2940017-B1 | Process for making compounds useful as inhibitors of ATR kinase | VERTEX PHARMA (US) | 2019-08-28 | — | — | EP | disclosed |