⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16911003 | 0.82 | — | — | |
| SCHEMBL16963349 | 0.75 | — | — | |
| SCHEMBL16911350 | 0.74 | — | — | |
| SCHEMBL16963739 | 0.73 | SLC9A1 (0.33) | — | |
| SCHEMBL16911184 | 0.73 | — | — | |
| SCHEMBL17600095 | 0.70 | — | — | |
| SCHEMBL17600291 | 0.70 | — | — | |
| SCHEMBL17600280 | 0.68 | — | — | |
| SCHEMBL17600238 | 0.67 | — | — | |
| SCHEMBL17600162 | 0.67 | — | — |
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-104684908-A | Tetrazolinone compounds and their use as pesticides | SUMITOMO CHEMICAL CO | 2015-06-03 | — | — | CN | disclosed |