⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24377495 | 0.81 | — | — | |
| SCHEMBL22920544 | 0.73 | KDM4E (0.39) | — | |
| SCHEMBL840146 | 0.68 | KDM4E (0.41) | — | |
| SCHEMBL24536004 | 0.65 | — | — | |
| SCHEMBL16788109 | 0.63 | GRIA1 (0.33) | — | |
| SCHEMBL24630341 | 0.61 | GRIA1 (0.32) | — | |
| SCHEMBL27054239 | 0.60 | PTPN1 (0.31) | — | |
| SCHEMBL24320169 | 0.59 | KDM4E (0.40) | — | |
| SCHEMBL21918079 | 0.59 | KDM4E (0.34) | — | |
| SCHEMBL15260444 | 0.59 | CYP2D6 (0.32) | — |
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-2022086920-A1 | GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF | BLACKSMITH MEDICINES, INC. (US) | 2022-04-28 | — | — | WO | disclosed |