⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24360760 | 0.83 | — | — | |
| SCHEMBL24360753 | 0.83 | — | — | |
| SCHEMBL24361081 | 0.82 | — | — | |
| SCHEMBL24361308 | 0.81 | — | — | |
| SCHEMBL21376104 | 0.78 | — | — | |
| SCHEMBL18179701 | 0.78 | PTGS1 (0.32) | — | |
| SCHEMBL23222089 | 0.78 | — | — | |
| SCHEMBL21376198 | 0.78 | — | — | |
| SCHEMBL24361078 | 0.78 | — | — | |
| SCHEMBL24361080 | 0.77 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2017144341-A1 | CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-08-31 | — | — | WO | disclosed |