⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1106490 | 0.71 | BRD4 (0.34) | — | |
| SCHEMBL10460755 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL18811486 | 0.62 | — | — | |
| SCHEMBL27300758 | 0.61 | MAP2K1 (0.37) | — | |
| SCHEMBL27295583 | 0.61 | ACLY (0.43) | — | |
| SCHEMBL1155858 | 0.59 | BRD4 (0.40) | — | |
| SCHEMBL20072301 | 0.58 | — | — | |
| SCHEMBL19156055 | 0.58 | BRD9 (0.38) | — | |
| SCHEMBL4398784 | 0.57 | — | — | |
| SCHEMBL30574653 | 0.57 | RAPGEF4 (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 |
|---|---|---|---|---|---|---|---|
| WO-2023020479-A1 | PARP7 INHIBITOR AND APPLICATION THEREOF | 重庆华森制药股份有限公司 | 2023-02-23 | — | — | WO | disclosed |