⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19299811 | 0.82 | MAPT (0.35) | — | |
| SCHEMBL19299913 | 0.81 | NPC1 (0.34) | — | |
| SCHEMBL19299810 | 0.79 | KDM4E (0.34) | — | |
| SCHEMBL19299797 | 0.76 | MAPT (0.36) | — | |
| SCHEMBL25106965 | 0.75 | — | — | |
| SCHEMBL19299828 | 0.73 | POLB (0.40) | — | |
| SCHEMBL19299825 | 0.73 | POLB (0.40) | — | |
| SCHEMBL19299914 | 0.71 | — | — | |
| SCHEMBL19299806 | 0.71 | MAPT (0.36) | — | |
| SCHEMBL19283559 | 0.70 | KCNH2 (0.37) | — |
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 |