⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6416288 | 0.78 | — | — | |
| SCHEMBL4655171 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL33924 | 0.75 | — | — | |
| SCHEMBL23322351 | 0.74 | — | — | |
| SCHEMBL20916316 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL1300218 | 0.73 | — | — | |
| SCHEMBL6416949 | 0.72 | — | — | |
| SCHEMBL1354234 | 0.71 | — | — | |
| SCHEMBL22401690 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL17363631 | 0.71 | TSHR (0.41) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102171226-B | Process for preparing mono-allyl-functionalized dialkylphosphinic acids, salts and esters thereof with allylic compounds, and the use thereof | CLARIANT FINANCE BVI LTD | 2015-02-11 | — | — | CN | disclosed |
| EP-1613607-B1 | BENZENESULPHONAMIDE DERIVATIVES AS HERBICIDES OR DESICCANT/DEFOLIANT COMPOUNDS | BASF SE (DE) | 2013-01-09 | — | — | EP | disclosed |
| CN-102171226-A | Process for preparing mono-allyl-functionalized dialkylphosphinic acids, salts and esters thereof with allylic compounds, and the use thereof | CLARIANT INT LTD | 2011-08-31 | — | — | CN | disclosed |
| US-7741485-B2 | Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds | BASF AKTIENGESELLSCHAFT (DE) | 2010-06-22 | — | — | US | disclosed |
| EP-1501361-B1 | 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES | BASF SE (DE) | 2009-09-30 | — | — | EP | disclosed |
| US-7381687-B2 | 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2008-06-03 | — | — | US | disclosed |
| US-20060211577-A1 | Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds | BASF AKTIENGESELLSCHAFT (DE) | 2006-09-21 | — | — | US | disclosed |
| EP-1613607-A1 | BENZENESULPHONAMIDE DERIVATIVES AS HERBICIDES OR DESICCANT/DEFOLIANT COMPOUNDS | BASF Aktiengesellschaft (DE) | 2006-01-11 | — | — | EP | disclosed |
| CN-1649498-A | 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides | BASF AG (DE) | 2005-08-03 | — | — | CN | disclosed |
| US-20050165020-A1 | 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2005-07-28 | — | — | US | disclosed |
| US-20050066453-A1 | Photochromic dye | NEW PRISMATIC ENTERPRISE CO., LTD. (TW) | 2005-03-31 | — | — | US | disclosed |
| WO-2004089914-A1 | BENZENESULPHONAMIDE DERIVATIVES AS HERBICIDES OR DESICCANT/DEFOLIANT COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2004-10-21 | — | — | WO | disclosed |