⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28433595 | 0.75 | MEN1 (0.32) | — | |
| SCHEMBL13488597 | 0.72 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL2491769 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL21643711 | 0.60 | MEN1 (0.45) | — | |
| SCHEMBL1808770 | 0.60 | MEN1 (0.45) | — | |
| SCHEMBL4658299 | 0.57 | ALDH1A1 (0.43) | — | |
| SCHEMBL13064760 | 0.57 | ALDH1A1 (0.43) | — | |
| SCHEMBL1810542 | 0.56 | MEN1 (0.36) | — | |
| SCHEMBL6060779 | 0.56 | MEN1 (0.36) | — | |
| SCHEMBL1811779 | 0.55 | ALDH1A1 (0.41) | — |
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 |