⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9248382 | 1.00 | — | — | |
| SCHEMBL448298 | 0.78 | — | — | |
| SCHEMBL8585283 | 0.77 | GRIK1 (0.33) | — | |
| SCHEMBL5613702 | 0.77 | GRIK1 (0.33) | — | |
| SCHEMBL690963 | 0.71 | AKR1C3 (0.50) | — | |
| SCHEMBL681483 | 0.70 | — | — | |
| SCHEMBL1055324 | 0.69 | — | — | |
| SCHEMBL4426723 | 0.69 | — | — | |
| SCHEMBL210278 | 0.69 | — | — | |
| SCHEMBL4100051 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0530360-A4 | — | PHILLIPS PETROLEUM CO (US) | 1995-04-26 | — | — | EP | disclosed |
| EP-0530360-A1 | GLASS-REINFORCED GRAFTED BRANCHED HIGHER ALPHA-OLEFINS | PHILLIPS PETROLEUM COMPANY (US) | 1993-03-10 | — | — | EP | disclosed |