⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6722261 | 0.73 | ALDH1A1 (0.30) | — | |
| Formic Acid SCHEMBL28061392 | 0.71 | — | — | |
| SCHEMBL13671364 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL28613246 | 0.70 | — | — | |
| SCHEMBL1179454 | 0.69 | TP53 (0.33) | — | |
| Sulfuric Acid SCHEMBL28491424 | 0.69 | CA5A (0.33) | — | |
| SCHEMBL4610676 | 0.67 | — | — | |
| SCHEMBL14351633 | 0.67 | — | — | |
| SCHEMBL1248596 | 0.67 | — | — | |
| SCHEMBL270023 | 0.66 | — | — |
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-20230000949-A1 | SOLID COMPOSITIONS COMPRISING A PCSK9 INHIBITOR AND A SALT OF N-(8-(2-HYDROXYBENZOYL)AMINO)CAPRYLIC ACID | NOVO NORDISK AS (DK) | 2023-01-05 | — | — | US | disclosed |