⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15423531 | 0.85 | ADORA2A (0.30) | — | |
| SCHEMBL15424473 | 0.77 | ADORA2A (0.33) | — | |
| SCHEMBL18882007 | 0.77 | BCHE (0.39) | — | |
| SCHEMBL19447856 | 0.77 | BCHE (0.39) | — | |
| SCHEMBL10414406 | 0.74 | — | — | |
| SCHEMBL18881654 | 0.72 | — | — | |
| SCHEMBL26596843 | 0.72 | — | — | |
| SCHEMBL30202366 | 0.70 | CYP2A6 (0.30) | — | |
| SCHEMBL2550967 | 0.70 | CYP2A6 (0.30) | — | |
| SCHEMBL21565390 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10550116-B2 | Fused bicyclic heterocycle derivatives as pesticides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2020-02-04 | — | — | US | disclosed |