⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22861901 | 0.78 | FDPS (0.40) | — | |
| Taiwaniaquinol C SCHEMBL31237206 | 0.61 | PIK3CA (0.33) | — | |
| Fortunin C SCHEMBL18290293 | 0.60 | FDPS (0.42) | — | |
| Taiwaniaquinol B SCHEMBL31237215 | 0.59 | USP2 (0.37) | — | |
| Taiwaniaquinol B SCHEMBL18105238 | 0.59 | USP2 (0.37) | — | |
| Taiwaniaquinol E SCHEMBL31237185 | 0.59 | USP2 (0.37) | — | |
| SCHEMBL12249339 | 0.57 | USP2 (0.37) | — | |
| SCHEMBL31238108 | 0.57 | FDPS (0.61) | — | |
| SCHEMBL5589697 | 0.57 | AKR1B1 (0.41) | — | |
| SCHEMBL18290240 | 0.55 | FDPS (0.48) | — |
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-20210000841-A1 | COMPOUNDS THAT MODULATE VON WILLEBRAND FACTOR LEVELS AND THEIR USE IN THE TREATMENT OF BLOOD DISORDERS | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 2021-01-07 | — | — | US | disclosed |