⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9299360 | 0.90 | — | — | |
| SCHEMBL9298509 | 0.89 | ALOX15 (0.34) | — | |
| Acetic Acid SCHEMBL9298511 | 0.80 | ALOX15 (0.30) | — | |
| SCHEMBL9298685 | 0.77 | — | — | |
| Formic Acid SCHEMBL9299691 | 0.74 | — | — | |
| SCHEMBL18277685 | 0.56 | — | — | |
| SCHEMBL13277673 | 0.56 | MEN1 (0.42) | — | |
| SCHEMBL23878726 | 0.55 | ALOX15 (0.31) | — | |
| SCHEMBL9517904 | 0.55 | NLRP3 (0.36) | — | |
| SCHEMBL9517901 | 0.55 | NLRP3 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5321007-A | 2,6-dimethylbicyclo[3.3.1]non-6-ene-3-methanol, substituted derivatives thereof, organoleptic utilities thereof, processes for producing same, and process intermediates therefor | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1994-06-14 | — | — | US | disclosed |