⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30941545 | 1.00 | — | — | |
| SCHEMBL30941508 | 0.85 | ADORA3 (0.32) | — | |
| SCHEMBL25049210 | 0.84 | SLC6A4 (0.33) | — | |
| SCHEMBL25046758 | 0.84 | — | — | |
| SCHEMBL30941144 | 0.83 | — | — | |
| SCHEMBL25048088 | 0.83 | — | — | |
| SCHEMBL30940833 | 0.83 | — | — | |
| SCHEMBL25047975 | 0.83 | — | — | |
| SCHEMBL25048276 | 0.81 | NNMT (0.32) | — | |
| SCHEMBL25046763 | 0.81 | HTR2A (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 |
|---|---|---|---|---|---|---|---|
| WO-2023017152-A1 | SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION | ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) | 2023-02-16 | — | — | WO | disclosed |