⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23401047 | 0.89 | NPC1 (0.34) | — | |
| SCHEMBL23400244 | 0.85 | — | — | |
| SCHEMBL23401587 | 0.76 | KDM4E (0.40) | — | |
| SCHEMBL1420985 | 0.75 | — | — | |
| SCHEMBL23403400 | 0.75 | C1S (0.33) | — | |
| SCHEMBL23403108 | 0.74 | HMGCR (0.31) | — | |
| SCHEMBL23403362 | 0.73 | HTT (0.40) | — | |
| SCHEMBL23401980 | 0.72 | L3MBTL1 (0.36) | — | |
| SCHEMBL23399850 | 0.71 | — | — | |
| SCHEMBL23401548 | 0.70 | ADORA3 (0.31) | — |
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 |