⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL524601 | 0.71 | SIGMAR1 (0.31) | — | |
| SCHEMBL7986676 | 0.70 | SIGMAR1 (0.37) | — | |
| SCHEMBL18396455 | 0.70 | — | — | |
| SCHEMBL27518652 | 0.69 | SIGMAR1 (0.34) | — | |
| SCHEMBL7081378 | 0.69 | — | — | |
| SCHEMBL9334223 | 0.68 | NAAA (0.34) | — | |
| SCHEMBL4417469 | 0.68 | NAAA (0.34) | — | |
| SCHEMBL23326466 | 0.67 | GAA (0.41) | — | |
| SCHEMBL18396517 | 0.67 | — | — | |
| SCHEMBL7986672 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190010315-A1 | Stabilized Polyolefin Compositions Comprising Benzofuranones and Hindered Phenolic Antioxidants | BASF CORPORATION | 2019-01-10 | — | — | US | disclosed |