⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29951894 | 0.83 | ADH1C (0.31) | — | |
| SCHEMBL3429613 | 0.82 | MAPT (0.33) | — | |
| SCHEMBL2484393 | 0.82 | MAPT (0.33) | — | |
| SCHEMBL1366763 | 0.82 | MAPT (0.33) | — | |
| SCHEMBL29954588 | 0.79 | DRD3 (0.43) | — | |
| SCHEMBL29955016 | 0.77 | ADH1A (0.37) | — | |
| SCHEMBL29957860 | 0.76 | ADH1A (0.46) | — | |
| SCHEMBL14609036 | 0.76 | — | — | |
| SCHEMBL3429609 | 0.76 | — | — | |
| SCHEMBL29958136 | 0.75 | ADH1A (0.38) | — |
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 |