⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6057149 | 0.81 | — | — | |
| SCHEMBL17472531 | 0.71 | — | — | |
| SCHEMBL5962534 | 0.62 | — | — | |
| SCHEMBL5670418 | 0.62 | — | — | |
| SCHEMBL14538923 | 0.61 | — | — | |
| SCHEMBL19033169 | 0.61 | MEN1 (0.33) | — | |
| SCHEMBL386430 | 0.61 | — | — | |
| SCHEMBL11149475 | 0.60 | — | — | |
| SCHEMBL10481596 | 0.58 | — | — | |
| SCHEMBL8464126 | 0.58 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2086929-B1 | ALLYLIC POLYSULFANES | ECOSPRAY LTD (GB) | 2016-03-30 | — | — | EP | claimed |
| US-8101802-B2 | Allylic polysulfanes | ECOSPRAY LIMITED (GB) | 2012-01-24 | — | — | US | claimed |
| US-20100274037-A1 | ALLYLIC POLYSULFANES | ECOSPRAY LIMITED (GB) | 2010-10-28 | — | — | US | claimed |
| EP-2086929-B1 | ALLYLIC POLYSULFANES | ECOSPRAY LTD (GB) | 2016-03-30 | — | — | EP | disclosed |
| US-8101802-B2 | Allylic polysulfanes | ECOSPRAY LIMITED (GB) | 2012-01-24 | — | — | US | disclosed |
| US-20100274037-A1 | ALLYLIC POLYSULFANES | ECOSPRAY LIMITED (GB) | 2010-10-28 | — | — | US | disclosed |