⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9507240 | 1.00 | — | — | |
| SCHEMBL5157595 | 0.74 | — | — | |
| SCHEMBL9506464 | 0.74 | — | — | |
| SCHEMBL9505585 | 0.74 | — | — | |
| SCHEMBL5152981 | 0.68 | — | — | |
| SCHEMBL14620479 | 0.68 | — | — | |
| SCHEMBL14620296 | 0.68 | — | — | |
| SCHEMBL5153968 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL5152585 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL22622583 | 0.60 | ALDH1A1 (0.31) | — |
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-0419860-B1 | OXYGENATED ALICYCLIC COMPOUNDS, THEIR APPLICATION AS PERFUME CONSTITUENTS AND METHOD FOR MAKING THEM | FIRMENICH SA (CH) | 1993-08-04 | — | — | EP | disclosed |
| US-5087612-A | Woody-amber odors | FIRMENICH SA (CH) | 1992-02-11 | — | — | US | disclosed |
| EP-0419860-A1 | Oxygenated alicyclic compounds, their application as perfume constituents and method for making them | FIRMENICH SA (CH) | 1991-04-03 | — | — | EP | disclosed |