⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18819807 | 0.91 | L3MBTL1 (0.34) | — | |
| SCHEMBL17832804 | 0.89 | ALDH1A1 (0.34) | — | |
| SCHEMBL21869899 | 0.89 | DDR1 (0.30) | — | |
| SCHEMBL18795130 | 0.86 | — | — | |
| SCHEMBL31534715 | 0.82 | DDR1 (0.31) | — | |
| SCHEMBL17967734 | 0.82 | DDR1 (0.31) | — | |
| SCHEMBL29521429 | 0.82 | DGAT1 (0.31) | — | |
| SCHEMBL29521944 | 0.82 | MEN1 (0.33) | — | |
| SCHEMBL20468523 | 0.82 | DGAT1 (0.31) | — | |
| SCHEMBL17941403 | 0.82 | MEN1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10550116-B2 | Fused bicyclic heterocycle derivatives as pesticides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2020-02-04 | — | — | US | disclosed |
| US-10550116-B2 | Fused bicyclic heterocycle derivatives as pesticides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2020-02-04 | — | — | US | disclosed |
| US-20180305353-A1 | FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-10-25 | — | — | US | disclosed |
| WO-2017072039-A1 | CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-05-04 | — | — | WO | disclosed |