⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2041036 | 0.64 | — | — | |
| SCHEMBL2041008 | 0.61 | — | — | |
| SCHEMBL29364653 | 0.61 | GAA (0.96) | — | |
| SCHEMBL88911 | 0.61 | GAA (0.96) | — | |
| SCHEMBL3556450 | 0.61 | GAA (0.96) | — | |
| SCHEMBL2042903 | 0.60 | — | — | |
| SCHEMBL29954608 | 0.60 | — | — | |
| SCHEMBL9923694 | 0.60 | — | — | |
| SCHEMBL14181103 | 0.58 | FKBP5 (0.33) | — | |
| SCHEMBL3821228 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11702652-B2 | Enzymatic encoding methods for efficient synthesis of large libraries | NUEVOLUTION A/S (DK) | 2023-07-18 | — | — | US | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |