⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7678109 | 0.74 | — | — | |
| SCHEMBL6852719 | 0.74 | — | — | |
| SCHEMBL9063686 | 0.72 | — | — | |
| SCHEMBL10695189 | 0.72 | — | — | |
| SCHEMBL7675882 | 0.72 | — | — | |
| SCHEMBL23568726 | 0.72 | — | — | |
| SCHEMBL29775436 | 0.72 | — | — | |
| SCHEMBL4710125 | 0.72 | — | — | |
| SCHEMBL2179497 | 0.72 | — | — | |
| SCHEMBL10695680 | 0.72 | — | — |
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-0252482-A2 | 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-01-13 | — | — | EP | disclosed |
| EP-0217372-A2 | Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-04-08 | — | — | EP | disclosed |