⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10779870 | 0.92 | — | — | |
| SCHEMBL11025150 | 0.81 | — | — | |
| SCHEMBL1532774 | 0.71 | — | — | |
| SCHEMBL2201288 | 0.71 | — | — | |
| SCHEMBL9577547 | 0.71 | — | — | |
| SCHEMBL11048189 | 0.69 | — | — | |
| SCHEMBL9113187 | 0.69 | — | — | |
| SCHEMBL30899237 | 0.66 | — | — | |
| SCHEMBL30569675 | 0.66 | — | — | |
| SCHEMBL94981 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0107857-A1 | Process for the preparation of 8,12-epoxy-13,14,15,16-tetranor labdane | Consortium für elektrochemische Industrie GmbH (DE) | 1984-05-09 | — | — | EP | disclosed |