⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25048458 | 0.90 | CHKA (0.34) | — | |
| SCHEMBL25048095 | 0.84 | PARP1 (0.32) | — | |
| SCHEMBL25048741 | 0.80 | OPRM1 (0.38) | — | |
| SCHEMBL25048803 | 0.77 | PIP4K2A (0.35) | — | |
| SCHEMBL25046765 | 0.76 | ADRA1A (0.40) | — | |
| SCHEMBL25049211 | 0.75 | NPBWR1 (0.35) | — | |
| SCHEMBL25046755 | 0.75 | PDE10A (0.32) | — | |
| SCHEMBL2173172 | 0.75 | LRRK2 (0.36) | — | |
| SCHEMBL25046693 | 0.74 | CHKA (0.33) | — | |
| SCHEMBL25049292 | 0.74 | MCHR1 (0.35) | — |
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-2023017152-A1 | SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION | ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) | 2023-02-16 | — | — | WO | disclosed |