⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8485743 | 0.80 | CHRNB2 (0.37) | — | |
| SCHEMBL8486844 | 0.74 | CHRNB4 (0.32) | — | |
| SCHEMBL8488486 | 0.72 | CHRNB2 (0.39) | — | |
| SCHEMBL8485864 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL8488201 | 0.67 | TRPA1 (0.31) | — | |
| SCHEMBL8485583 | 0.65 | CHRNB2 (0.31) | — | |
| SCHEMBL7228279 | 0.64 | GRM5 (0.33) | — | |
| SCHEMBL7974736 | 0.60 | HCAR2 (0.55) | — | |
| SCHEMBL7296380 | 0.60 | CYP2D6 (0.63) | — | |
| SCHEMBL8488089 | 0.58 | KDM4E (0.43) | — |
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-1999038865-A1 | 8-AZABICYCLO(3.2.1)OCT-2-ENE DERIVATIVES AS PESTICIDES | ZENECA LIMITED (GB) | 1999-08-05 | — | — | WO | disclosed |