⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13909691 | 0.71 | CYP2A6 (0.38) | — | |
| SCHEMBL19792316 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL31409619 | 0.68 | DAO (0.31) | — | |
| SCHEMBL2628941 | 0.67 | NUDT1 (0.34) | — | |
| SCHEMBL29954069 | 0.67 | AXL (0.40) | — | |
| SCHEMBL13909729 | 0.65 | KMT2A (0.32) | — | |
| SCHEMBL29660550 | 0.63 | MAPK1 (0.38) | — | |
| SCHEMBL26965747 | 0.63 | MAPK1 (0.38) | — | |
| SCHEMBL2567586 | 0.62 | KMT2A (0.34) | — | |
| SCHEMBL3144721 | 0.62 | LMNA (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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |