⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL269241 | 0.79 | — | — | |
| SCHEMBL16297567 | 0.76 | ADH1B (0.48) | — | |
| SCHEMBL3038175 | 0.75 | — | — | |
| SCHEMBL13066109 | 0.75 | — | — | |
| SCHEMBL16297572 | 0.75 | ADH1B (0.46) | — | |
| SCHEMBL3936013 | 0.75 | — | — | |
| SCHEMBL7870758 | 0.74 | — | — | |
| SCHEMBL271436 | 0.73 | — | — | |
| SCHEMBL13057369 | 0.73 | ADH1B (0.52) | — | |
| SCHEMBL23230275 | 0.71 | ADH1B (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001056358-A2 | ENHANCED PROPERTIED PESTICIDES | ROHM AND HAAS COMPANY (US) | 2001-08-09 | — | — | WO | disclosed |