⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11182883 | 0.76 | POLB (0.31) | — | |
| SCHEMBL2321561 | 0.74 | — | — | |
| SCHEMBL12372506 | 0.67 | — | — | |
| SCHEMBL14961837 | 0.67 | — | — | |
| SCHEMBL11159369 | 0.65 | — | — | |
| SCHEMBL1719618 | 0.65 | — | — | |
| SCHEMBL1667711 | 0.64 | GAA (0.31) | — | |
| SCHEMBL6689580 | 0.63 | — | — | |
| SCHEMBL5789284 | 0.61 | — | — | |
| SCHEMBL2657307 | 0.61 | KCNA4 (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-4410354-A | Spiro ether herbicides | SHELL OIL COMPANY (US) | 1983-10-18 | — | — | US | disclosed |