⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23588022 | 0.79 | — | — | |
| SCHEMBL27925549 | 0.78 | ABCB11 (0.31) | — | |
| SCHEMBL22515684 | 0.70 | — | — | |
| SCHEMBL21368398 | 0.66 | — | — | |
| SCHEMBL21375604 | 0.64 | HSD17B10 (0.35) | — | |
| SCHEMBL1365394 | 0.58 | — | — | |
| SCHEMBL1365395 | 0.58 | — | — | |
| SCHEMBL6426443 | 0.58 | — | — | |
| SCHEMBL11874153 | 0.58 | — | — | |
| Trimethylammonium SCHEMBL317084 | 0.57 | — | — |
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-103420880-A | Derivatives of pesticide nereistoxin and preparation method of derivatives | GAUNGXI TIANYUAN BIOCHEMISTRY | 2013-12-04 | — | — | CN | disclosed |