⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23398628 | 0.85 | CYP11B2 (0.33) | — | |
| SCHEMBL23398430 | 0.81 | NPC1 (0.37) | — | |
| SCHEMBL23401232 | 0.79 | KDM4E (0.35) | — | |
| SCHEMBL23402017 | 0.79 | POLB (0.41) | — | |
| SCHEMBL23400969 | 0.77 | HTT (0.38) | — | |
| SCHEMBL12806968 | 0.76 | — | — | |
| SCHEMBL23403446 | 0.76 | ESR1 (0.36) | — | |
| SCHEMBL18951013 | 0.74 | — | — | |
| SCHEMBL13714026 | 0.74 | — | — | |
| SCHEMBL12293926 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |