⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16681639 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL270568 | 0.77 | — | — | |
| SCHEMBL14211014 | 0.77 | — | — | |
| SCHEMBL12173859 | 0.74 | — | — | |
| SCHEMBL5370146 | 0.74 | — | — | |
| SCHEMBL9578398 | 0.72 | — | — | |
| SCHEMBL16853109 | 0.72 | — | — | |
| SCHEMBL21708244 | 0.72 | — | — | |
| SCHEMBL21807520 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL9581388 | 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 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 |