⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2154299 | 0.82 | — | — | |
| SCHEMBL12317549 | 0.82 | — | — | |
| SCHEMBL14181274 | 0.72 | ADH1B (0.30) | — | |
| SCHEMBL4354453 | 0.70 | — | — | |
| SCHEMBL5484196 | 0.69 | — | — | |
| SCHEMBL276031 | 0.67 | — | — | |
| SCHEMBL12216598 | 0.67 | — | — | |
| SCHEMBL6437815 | 0.67 | ADH1B (0.32) | — | |
| SCHEMBL79570 | 0.67 | — | — | |
| SCHEMBL7032546 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2321270-B1 | IMPROVED PROCESS FOR THE ADDITION OF THIOLATES TO ALFA, BETA-UNSATURATED CARBONYL OR SULFONYL COMPOUNDS | DOW AGROSCIENCES LLC (US) | 2016-03-23 | — | — | EP | disclosed |
| US-8101803-B2 | Process for the addition of thiolates to α,β-unsaturated carbonyl or sulfonyl compounds | DOW AGROSCIENCES LLC (US) | 2012-01-24 | — | — | US | disclosed |
| EP-2321270-A1 | IMPROVED PROCESS FOR THE ADDITION OF THIOLATES TO ALFA, BETA-UNSATURATED CARBONYL OR SULFONYL COMPOUNDS | Dow AgroSciences LLC (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010021855-A1 | IMPROVED PROCESS FOR THE ADDITION OF THIOLATES TO ALFA, BETA-UNSATURATED CARBONYL OR SULFONYL COMPOUNDS | DOW AGROSCIENCES LLC (US) | 2010-02-25 | — | — | WO | disclosed |
| US-20100048939-A1 | PROCESS FOR THE ADDITION OF THIOLATES TO ?,?-UNSATURATED CARBONYL OR SULFONYL COMPOUNDS | DOW AGROSCIENCES LLC (US) | 2010-02-25 | — | — | US | disclosed |