⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL466206 | 0.94 | — | — | |
| SCHEMBL18881139 | 0.92 | — | — | |
| SCHEMBL9003787 | 0.78 | — | — | |
| SCHEMBL18678397 | 0.75 | APP (0.33) | — | |
| SCHEMBL11853474 | 0.74 | — | — | |
| SCHEMBL793251 | 0.72 | — | — | |
| SCHEMBL9340047 | 0.72 | — | — | |
| SCHEMBL20999600 | 0.70 | APP (0.36) | — | |
| SCHEMBL11564976 | 0.70 | — | — | |
| SCHEMBL19069999 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0549640-A1 | ISOMERIC 11-OXA-TRICYCLO[7.3.0.0]DODECENE DERIVATIVES, THEIR PREPARATION ANT THEIR USE AS ODORIFEROUS SUBSTANCES, AS WELL AS PERFUME COMPOSITIONS CONTAINING SUCH DERIVATIVES. | HENKEL KGAA (DE) | 1993-07-07 | — | — | EP | disclosed |
| WO-1992005166-A1 | ISOMERIC 11-OXA-TRICYCLO[7.3.0.02,6]DODECENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ODORIFEROUS SUBSTANCES, AS WELL AS PERFUME COMPOSITIONS CONTAINING SUCH DERIVATIVES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1992-04-02 | — | — | WO | disclosed |