⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25047669 | 0.86 | CHKA (0.33) | — | |
| SCHEMBL25048263 | 0.84 | PRMT5 (0.38) | — | |
| SCHEMBL25048313 | 0.80 | PIP4K2A (0.33) | — | |
| SCHEMBL25047585 | 0.79 | NT5E (0.36) | — | |
| SCHEMBL25048345 | 0.78 | CHKA (0.35) | — | |
| SCHEMBL25048059 | 0.78 | CHKA (0.32) | — | |
| SCHEMBL25046781 | 0.76 | CHKA (0.38) | — | |
| SCHEMBL25046755 | 0.75 | PDE10A (0.32) | — | |
| SCHEMBL25048731 | 0.74 | PIK3CA (0.36) | — | |
| SCHEMBL25046693 | 0.74 | CHKA (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-2023017152-A1 | SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION | ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) | 2023-02-16 | — | — | WO | disclosed |