⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26092099 | 0.81 | — | — | |
| SCHEMBL16415506 | 0.79 | PDK2 (0.38) | — | |
| SCHEMBL26093706 | 0.77 | NR1H2 (0.47) | — | |
| SCHEMBL2005065 | 0.77 | IGF2R (0.32) | — | |
| SCHEMBL21767475 | 0.76 | NAMPT (0.33) | — | |
| SCHEMBL21767473 | 0.76 | NAMPT (0.33) | — | |
| SCHEMBL27037834 | 0.76 | PDK2 (0.40) | — | |
| SCHEMBL22464565 | 0.76 | PDK2 (0.32) | — | |
| SCHEMBL22464819 | 0.74 | PIM1 (0.33) | — | |
| SCHEMBL17255489 | 0.73 | SCN9A (0.33) | — |
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-2023067354-A1 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | ARTIOS PHARMA LIMITED (GB) | 2023-04-27 | — | — | WO | disclosed |