⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23398952 | 0.78 | — | — | |
| SCHEMBL23401646 | 0.77 | HPGD (0.35) | — | |
| SCHEMBL23398651 | 0.76 | PKM (0.33) | — | |
| SCHEMBL16088356 | 0.76 | — | — | |
| SCHEMBL23399058 | 0.74 | — | — | |
| SCHEMBL23399485 | 0.74 | — | — | |
| SCHEMBL23400914 | 0.74 | — | — | |
| SCHEMBL23402547 | 0.72 | — | — | |
| SCHEMBL23399894 | 0.71 | ADORA2A (0.32) | — | |
| SCHEMBL23403556 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3828159-A1 | STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS | BASF SE (DE) | 2021-06-02 | — | — | EP | disclosed |