⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28797310 | 0.66 | HCAR3 (0.32) | — | |
| SCHEMBL1050915 | 0.59 | — | — | |
| SCHEMBL22471674 | 0.57 | — | — | |
| SCHEMBL9901815 | 0.56 | — | — | |
| SCHEMBL28875346 | 0.55 | — | — | |
| SCHEMBL9512785 | 0.55 | PTPN1 (0.39) | — | |
| SCHEMBL9512793 | 0.55 | PTPN1 (0.39) | — | |
| SCHEMBL9512789 | 0.55 | PTPN1 (0.39) | — | |
| SCHEMBL79228 | 0.55 | — | — | |
| SCHEMBL2809 | 0.55 | — | — |
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-3493818-A1 | METHODS OF DETECTING AND TREATING A TUMOR EXPRESSING PT346 PDK1 | The Wistar Institute Of Anatomy And Biology (US) | 2019-06-12 | — | — | EP | disclosed |
| WO-2018031407-A1 | METHODS OF DETECTING AND TREATING A TUMOR EXPRESSING PT346 PDK1 | THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) | 2018-02-15 | — | — | WO | disclosed |