⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28584982 | 0.89 | — | — | |
| SCHEMBL1322229 | 0.87 | — | — | |
| SCHEMBL27973989 | 0.87 | — | — | |
| SCHEMBL27954351 | 0.87 | — | — | |
| SCHEMBL28034458 | 0.82 | — | — | |
| SCHEMBL28788071 | 0.75 | — | — | |
| SCHEMBL28855919 | 0.75 | — | — | |
| SCHEMBL28389218 | 0.75 | — | — | |
| Methane SCHEMBL27324760 | 0.75 | — | — | |
| SCHEMBL27314593 | 0.75 | — | — |
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-104529663-A | Special fertilizer-pesticide mixture for litchi, and preparation method and application thereof | INST AGRI RESOURCES CAAS | 2015-04-22 | — | — | CN | disclosed |