⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6997017 | 1.00 | — | — | |
| SCHEMBL6999483 | 0.79 | CHRM2 (0.31) | — | |
| SCHEMBL6999490 | 0.79 | CHRM2 (0.31) | — | |
| SCHEMBL7809722 | 0.74 | LMNA (0.43) | — | |
| SCHEMBL7809720 | 0.74 | LMNA (0.43) | — | |
| SCHEMBL6999486 | 0.73 | SCN9A (0.30) | — | |
| SCHEMBL16387316 | 0.71 | ESR1 (0.39) | — | |
| SCHEMBL14968349 | 0.70 | SCN9A (0.32) | — | |
| SCHEMBL25706023 | 0.70 | SCN9A (0.34) | — | |
| SCHEMBL17729376 | 0.70 | MAP3K12 (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-0946553-B1 | 8-AZABICYCLO 3.2.1]OCTANE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INSECTICIDES | SYNGENTA LTD (GB) | 2003-01-29 | — | — | EP | disclosed |