⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15996477 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL14308595 | 0.77 | — | — | |
| SCHEMBL14721021 | 0.74 | — | — | |
| SCHEMBL11603281 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL11603277 | 0.71 | — | — | |
| SCHEMBL11603677 | 0.70 | CYP1A2 (0.35) | — | |
| SCHEMBL3893726 | 0.70 | — | — | |
| SCHEMBL11535274 | 0.68 | CHRNB2 (0.30) | — | |
| SCHEMBL11705497 | 0.67 | THRB (0.36) | — | |
| SCHEMBL10981655 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009138657-A1 | NOVEL ALDEHYDES HAVING NORBORNANE STRUCTURE, AND PREPARATION AND USE THEREOF IN PERFUMERY | V. MANE FILS (FR) | 2009-11-19 | — | — | WO | disclosed |
| EP-2112132-A1 | New aldehydes with norbornane structures, their preparation and use in perfume making | V. Mane Fils (FR) | 2009-10-28 | — | — | EP | disclosed |
| EP-2112132-A1 | New aldehydes with norbornane structures, their preparation and use in perfume making | V. Mane Fils (FR) | 2009-10-28 | — | — | EP | disclosed |