⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20561873 | 0.79 | — | — | |
| SCHEMBL21327 | 0.78 | — | — | |
| SCHEMBL2471012 | 0.78 | — | — | |
| Urea SCHEMBL27396613 | 0.75 | — | — | |
| SCHEMBL11146863 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL27755165 | 0.75 | — | — | |
| Hydrogen Sulfide SCHEMBL11329373 | 0.74 | — | — | |
| SCHEMBL20640191 | 0.74 | — | — | |
| SCHEMBL10749569 | 0.74 | — | — | |
| SCHEMBL20787983 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103613625-B | A kind of Avrmectin compounds and preparation method thereof and the purposes in agricultural chemicals | LANZHOU UNIVERSITY (CN) | 2016-03-02 | — | — | CN | claimed |
| CN-103613625-B | A kind of Avrmectin compounds and preparation method thereof and the purposes in agricultural chemicals | LANZHOU UNIVERSITY (CN) | 2016-03-02 | — | — | CN | disclosed |