⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9801925 | 0.70 | — | — | |
| SCHEMBL13854612 | 0.67 | — | — | |
| SCHEMBL5077203 | 0.67 | — | — | |
| SCHEMBL28092453 | 0.67 | — | — | |
| SCHEMBL5071885 | 0.67 | — | — | |
| SCHEMBL2570805 | 0.67 | — | — | |
| SCHEMBL24015436 | 0.64 | — | — | |
| SCHEMBL9577551 | 0.64 | — | — | |
| SCHEMBL3045535 | 0.64 | — | — | |
| SCHEMBL11427104 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4327882-A2 | ENPP1 INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER | The Board of Trustees of the Leland Stanford Junior University (US) | 2024-02-28 | — | — | EP | disclosed |
| WO-2023077083-A1 | ENPP1 INHIBITORS AS INHIBITORS OF METASTASIS | ANGARUS THERAPEUTICS, INC. (US) | 2023-05-04 | — | — | WO | disclosed |