⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3892006 | 0.71 | — | — | |
| SCHEMBL3889415 | 0.71 | — | — | |
| SCHEMBL1496206 | 0.63 | ALDH1A1 (0.34) | — | |
| SCHEMBL215249 | 0.63 | ALDH1A1 (0.34) | — | |
| SCHEMBL3893726 | 0.62 | — | — | |
| SCHEMBL14721021 | 0.61 | — | — | |
| SCHEMBL14721640 | 0.60 | — | — | |
| SCHEMBL5188257 | 0.60 | — | — | |
| Methyl Alcohol SCHEMBL4652953 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL26937043 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009138657-A1 | NOVEL ALDEHYDES HAVING NORBORNANE STRUCTURE, AND PREPARATION AND USE THEREOF IN PERFUMERY | V. MANE FILS (FR) | 2009-11-19 | — | — | WO | disclosed |