⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23401200 | 0.87 | — | — | |
| SCHEMBL23402935 | 0.87 | — | — | |
| SCHEMBL23401199 | 0.84 | — | — | |
| SCHEMBL23400057 | 0.84 | NPC1 (0.30) | — | |
| SCHEMBL23400502 | 0.84 | — | — | |
| SCHEMBL23402081 | 0.84 | NPC1 (0.33) | — | |
| SCHEMBL23399191 | 0.80 | P2RX7 (0.30) | — | |
| SCHEMBL23403177 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL23400125 | 0.78 | — | — | |
| SCHEMBL23402318 | 0.78 | — | — |
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 |