⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8977092 | 0.69 | — | — | |
| SCHEMBL375226 | 0.69 | — | — | |
| SCHEMBL8998913 | 0.68 | — | — | |
| SCHEMBL5945099 | 0.66 | — | — | |
| SCHEMBL3108372 | 0.64 | — | — | |
| SCHEMBL8616403 | 0.64 | — | — | |
| SCHEMBL9972640 | 0.62 | — | — | |
| SCHEMBL578851 | 0.59 | — | — | |
| SCHEMBL1469763 | 0.59 | — | — | |
| SCHEMBL13883800 | 0.59 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0499157-B1 | Process for preparing 1,3-dioxoles | AUSIMONT SPA (IT) | 1996-04-24 | — | — | EP | disclosed |
| EP-0499158-B1 | Process for the dehalogenation of 1,3-dioxolanes | AUSIMONT SPA (IT) | 1995-06-28 | — | — | EP | disclosed |
| EP-0491872-B1 | POLYHALODIHYDRODIOXINS AND POLYHALODIOXOLES | DU PONT (US) | 1994-08-03 | — | — | EP | disclosed |
| US-5296617-A | Process for preparing 1,3-dioxoles | AUSIMONT S.P.A. (IT) | 1994-03-22 | — | — | US | disclosed |
| US-5245054-A | PROCESS FOR THE DEHALOGENATION OF 1,3-DIOXOLANES | SPHERILENE S.R.L. (IT) | 1993-09-14 | — | — | US | disclosed |
| EP-0499158-A1 | Process for the dehalogenation of 1,3-dioxolanes | AUSIMONT S.p.A. (IT) | 1992-08-19 | — | — | EP | disclosed |
| EP-0499157-A1 | Process for preparing 1,3-dioxoles | AUSIMONT S.p.A. (IT) | 1992-08-19 | — | — | EP | disclosed |
| US-3978030-A | Polymers of fluorinated dioxoles | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-08-31 | — | — | US | disclosed |