⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23401889 | 0.83 | HMGCR (0.33) | — | |
| SCHEMBL28166169 | 0.80 | — | — | |
| SCHEMBL4352669 | 0.79 | AKR1B1 (0.39) | — | |
| SCHEMBL23403140 | 0.79 | TYR (0.39) | — | |
| SCHEMBL23400972 | 0.77 | POLB (0.41) | — | |
| SCHEMBL23400877 | 0.77 | GABRA1 (0.41) | — | |
| SCHEMBL23400706 | 0.76 | HPGD (0.38) | — | |
| SCHEMBL8342654 | 0.74 | — | — | |
| SCHEMBL12304524 | 0.74 | CYP11B2 (0.43) | — | |
| SCHEMBL24526731 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025202003-A1 | POLYMERISATION INHIBITORS | BASF SE (DE) | 2025-10-02 | — | — | WO | disclosed |
| EP-3828159-A1 | STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS | BASF SE (DE) | 2021-06-02 | — | — | EP | disclosed |
| US-20180055054-A1 | PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF | QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) | 2018-03-01 | — | — | US | disclosed |