⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12676261 | 0.57 | — | — | |
| SCHEMBL4167249 | 0.56 | — | — | |
| SCHEMBL15165358 | 0.56 | — | — | |
| SCHEMBL2306478 | 0.55 | PDE2A (0.32) | — | |
| SCHEMBL7018544 | 0.54 | — | — | |
| SCHEMBL4398082 | 0.54 | — | — | |
| SCHEMBL16403745 | 0.53 | — | — | |
| SCHEMBL5186359 | 0.51 | CYP2C19 (0.33) | — | |
| SCHEMBL13748413 | 0.50 | NR2F2 (0.36) | — | |
| SCHEMBL30572772 | 0.50 | DHODH (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090048112-A1 | Novel Herbicides | SYNGENTA LIMITED (GB) | 2009-02-19 | — | — | US | disclosed |