⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29027294 | 0.82 | EPHX1 (0.31) | — | |
| SCHEMBL21495119 | 0.80 | — | — | |
| SCHEMBL2137758 | 0.78 | — | — | |
| SCHEMBL27483633 | 0.69 | — | — | |
| SCHEMBL2134024 | 0.68 | — | — | |
| SCHEMBL2135305 | 0.68 | — | — | |
| SCHEMBL19994140 | 0.67 | — | — | |
| SCHEMBL2134618 | 0.67 | — | — | |
| SCHEMBL2138085 | 0.64 | CHRM1 (0.35) | — | |
| SCHEMBL21495117 | 0.63 | CA1 (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 |
|---|---|---|---|---|---|---|---|
| CN-105682461-B | Pesticidal combination and relative method | 美国陶氏益农公司 | 2019-06-14 | — | — | CN | disclosed |