⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24916408 | 0.90 | PIK3CD (0.33) | — | |
| SCHEMBL24916055 | 0.81 | DRD2 (0.41) | — | |
| SCHEMBL24916406 | 0.77 | HPGD (0.42) | — | |
| SCHEMBL24916407 | 0.77 | GPR4 (0.33) | — | |
| SCHEMBL24916535 | 0.77 | HTR1A (0.32) | — | |
| SCHEMBL24916404 | 0.73 | HTR1A (0.37) | — | |
| SCHEMBL24915894 | 0.73 | HTR1A (0.33) | — | |
| SCHEMBL24915689 | 0.72 | TLR8 (0.35) | — | |
| SCHEMBL24916053 | 0.67 | DHFR (0.43) | — | |
| SCHEMBL24916056 | 0.65 | KDM4E (0.34) | — |
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 |