⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20393833 | 0.81 | CNR2 (0.36) | — | |
| SCHEMBL20393889 | 0.79 | — | — | |
| SCHEMBL24701865 | 0.79 | — | — | |
| SCHEMBL19888450 | 0.78 | MCHR1 (0.30) | — | |
| SCHEMBL24701888 | 0.78 | — | — | |
| SCHEMBL19888425 | 0.78 | — | — | |
| SCHEMBL20386796 | 0.78 | PSMB5 (0.30) | — | |
| SCHEMBL19888448 | 0.77 | — | — | |
| SCHEMBL24702083 | 0.77 | — | — | |
| SCHEMBL22201186 | 0.77 | CHRNA7 (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 |
|---|---|---|---|---|---|---|---|
| WO-2018130443-A1 | HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2018-07-19 | — | — | WO | disclosed |