⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9299688 | 0.75 | — | — | |
| Formic Acid SCHEMBL9299691 | 0.73 | — | — | |
| SCHEMBL9298918 | 0.70 | — | — | |
| SCHEMBL9299360 | 0.69 | — | — | |
| SCHEMBL21643529 | 0.68 | — | — | |
| SCHEMBL9298965 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL9238912 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL9236759 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL11391239 | 0.64 | — | — | |
| SCHEMBL27790205 | 0.61 | TSHR (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 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 |