⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24916034 | 0.87 | DCPS (0.34) | — | |
| SCHEMBL24916032 | 0.85 | MAPK1 (0.31) | — | |
| SCHEMBL24916366 | 0.75 | — | — | |
| SCHEMBL24916367 | 0.75 | TLR9 (0.33) | — | |
| SCHEMBL24916029 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL24915802 | 0.74 | DCPS (0.35) | — | |
| SCHEMBL24915842 | 0.72 | L3MBTL1 (0.35) | — | |
| SCHEMBL24916499 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL24916036 | 0.69 | KDM4E (0.36) | — | |
| SCHEMBL24916031 | 0.67 | KDM4E (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230026466-A1 | WDR5 INHIBITORS AND MODULATORS | VANDERBILT UNIVERSITY | 2023-01-26 | — | — | US | disclosed |