⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7002117 | 0.88 | — | — | |
| SCHEMBL2623672 | 0.74 | — | — | |
| SCHEMBL19397263 | 0.67 | — | — | |
| SCHEMBL8767924 | 0.67 | — | — | |
| SCHEMBL13154007 | 0.63 | — | — | |
| SCHEMBL1742015 | 0.63 | — | — | |
| SCHEMBL17581052 | 0.61 | — | — | |
| SCHEMBL13402634 | 0.61 | — | — | |
| SCHEMBL1027102 | 0.61 | — | — | |
| SCHEMBL4652308 | 0.61 | — | — |
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-0488045-B2 | Process for the preparation of beta-Isophorone | HOFFMANN LA ROCHE (CH) | 1999-10-13 | — | — | EP | disclosed |
| WO-1991018051-A1 | THERMALLY STABLE POLYOXYMETHYLENE BLENDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-11-28 | — | — | WO | disclosed |
| EP-0034016-B1 | THERMOPLASTIC COMPOSITION CONTAINING A POLY (METHYL ETHENYL BENZENE) RESIN AND A POLY (PHENYLENE OXIDE) RESIN | MOBIL OIL CORPORATION (US) | 1984-10-03 | — | — | EP | disclosed |