⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23398816 | 0.90 | MPO (0.32) | — | |
| SCHEMBL23402143 | 0.88 | PTGDR2 (0.33) | — | |
| SCHEMBL23403694 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL23401097 | 0.85 | — | — | |
| SCHEMBL23399937 | 0.85 | FFAR1 (0.30) | — | |
| SCHEMBL23398721 | 0.82 | — | — | |
| SCHEMBL23400028 | 0.80 | ADORA2A (0.44) | — | |
| SCHEMBL23398419 | 0.79 | GAA (0.37) | — | |
| SCHEMBL23400870 | 0.78 | ESR1 (0.31) | — | |
| SCHEMBL23403254 | 0.78 | PTGDR2 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4326783-A1 | POLYMERIZATION INHIBITORS | BASF SE (DE) | 2024-02-28 | — | — | EP | disclosed |
| WO-2022223336-A1 | POLYMERIZATION INHIBITORS | BASF SE (DE) | 2022-10-27 | — | — | WO | disclosed |
| EP-3828159-A1 | STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS | BASF SE (DE) | 2021-06-02 | — | — | EP | disclosed |