⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6660640 | 0.84 | — | — | |
| SCHEMBL193310 | 0.74 | — | — | |
| SCHEMBL2378237 | 0.69 | — | — | |
| SCHEMBL12932089 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL22383722 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL24158433 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL3787283 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL13550655 | 0.69 | — | — | |
| SCHEMBL2689788 | 0.69 | — | — | |
| SCHEMBL139109 | 0.69 | LMNA (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0491872-B1 | POLYHALODIHYDRODIOXINS AND POLYHALODIOXOLES | DU PONT (US) | 1994-08-03 | — | — | EP | disclosed |
| US-5334731-A | Using halogenated dioxoles prepared by the catalytic dechlorination of halogenated dioxolanes | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-08-02 | — | — | US | disclosed |
| US-5026801-A | Polyhalodihydrodioxins and polyhalodioxoles | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-06-25 | — | — | US | disclosed |
| WO-1991004251-A2 | POLYHALODIHYDRODIOXINS AND POLYHALODIOXOLES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-04-04 | — | — | WO | disclosed |