⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1018135 | 0.75 | — | — | |
| SCHEMBL3367576 | 0.73 | CYP2D6 (0.30) | — | |
| SCHEMBL3367574 | 0.73 | CYP2D6 (0.30) | — | |
| SCHEMBL1016978 | 0.73 | — | — | |
| SCHEMBL1020351 | 0.73 | — | — | |
| SCHEMBL3634945 | 0.71 | EP300 (0.31) | — | |
| SCHEMBL2954646 | 0.71 | — | — | |
| SCHEMBL1014199 | 0.71 | — | — | |
| SCHEMBL1016597 | 0.71 | — | — | |
| SCHEMBL1014197 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2152668-B1 | ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPODS | SUMITOMO CHEMICAL CO (JP) | 2011-01-12 | — | — | EP | disclosed |