⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17789942 | 0.80 | — | — | |
| SCHEMBL15137727 | 0.79 | — | — | |
| SCHEMBL9354672 | 0.78 | — | — | |
| SCHEMBL13949120 | 0.77 | — | — | |
| SCHEMBL27555934 | 0.77 | — | — | |
| SCHEMBL3400220 | 0.73 | — | — | |
| SCHEMBL1782790 | 0.73 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL1782792 | 0.73 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL28038498 | 0.73 | — | — | |
| SCHEMBL295228 | 0.71 | — | — |
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-0842926-B1 | Process for the preparation of rose oxide | DRAGOCO GERBERDING CO AG (DE) | 2002-02-13 | — | — | EP | disclosed |
| US-5892059-A | Process for producing a rose oxide | DRAGOCO GERBERDING & CO. AKTIENGESELLSCHAFT (DE) | 1999-04-06 | — | — | US | disclosed |
| EP-0842926-A1 | Process for the preparation of rose oxide | Dragoco Gerberding & Co Aktiengesellschaft (DE) | 1998-05-20 | — | — | EP | disclosed |