⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13620787 | 0.78 | — | — | |
| SCHEMBL11053373 | 0.78 | MAPK1 (0.32) | — | |
| SCHEMBL16229099 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL3889415 | 0.68 | — | — | |
| SCHEMBL11532143 | 0.68 | TAS1R3 (0.34) | — | |
| SCHEMBL11603277 | 0.68 | — | — | |
| Methyl Alcohol SCHEMBL4652953 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL5188257 | 0.65 | — | — | |
| SCHEMBL11603281 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL1496206 | 0.64 | ALDH1A1 (0.34) | — |
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-2112132-A1 | New aldehydes with norbornane structures, their preparation and use in perfume making | V. Mane Fils (FR) | 2009-10-28 | — | — | EP | disclosed |