⚠ 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL7591341 | 0.78 | — | — | |
| SCHEMBL1037343 | 0.76 | — | — | |
| SCHEMBL15363704 | 0.69 | — | — | |
| SCHEMBL15364033 | 0.67 | — | — | |
| SCHEMBL27872659 | 0.67 | — | — | |
| SCHEMBL23127072 | 0.65 | — | — | |
| SCHEMBL18527597 | 0.65 | — | — | |
| SCHEMBL10901623 | 0.65 | — | — | |
| SCHEMBL28639462 | 0.65 | — | — | |
| SCHEMBL6595604 | 0.65 | — | — |
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-0866065-B1 | Process for the preparation of 1,3-dioxane compounds | DEGUSSA (DE) | 2005-04-13 | — | — | EP | disclosed |
| EP-0866047-B1 | Method for the preparation of bishydroxymethyl compounds | DEGUSSA (DE) | 2001-08-22 | — | — | EP | disclosed |
| EP-0866065-A1 | Process for the preparation of 1,3-dioxane compounds | HÜLS AKTIENGESELLSCHAFT (DE) | 1998-09-23 | — | — | EP | disclosed |
| EP-0866047-A1 | Method for the preparation of bishydroxymethyl compounds | HÜLS AKTIENGESELLSCHAFT (DE) | 1998-09-23 | — | — | EP | disclosed |