⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7141 | 0.95 | — | — | |
| SCHEMBL2226545 | 0.91 | — | — | |
| SCHEMBL3965418 | 0.91 | — | — | |
| SCHEMBL1494474 | 0.67 | — | — | |
| SCHEMBL5323598 | 0.57 | — | — | |
| SCHEMBL2956483 | 0.57 | — | — | |
| Isobutane SCHEMBL2938481 | 0.54 | — | — | |
| SCHEMBL11240395 | 0.53 | ALDH1A1 (0.40) | — | |
| SCHEMBL1107768 | 0.53 | — | — | |
| SCHEMBL432766 | 0.53 | ALDH1A1 (0.30) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111302993-B | Preparation method of 4-phenylmercaptothiophenol | 新发药业有限公司 | 2022-10-21 | — | — | CN | disclosed |
| CN-111302993-A | Preparation method of 4-phenylmercaptothiophenol | 新发药业有限公司 | 2020-06-19 | — | — | CN | disclosed |
| US-9073910-B2 | 5-aryl isoxazolines for controlling invertebrate pests | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2015-07-07 | — | — | US | disclosed |
| EP-2360157-B1 | 5-aryl isoxazolines for controlling invertebrate pests | DU PONT (US) | 2012-11-21 | — | — | EP | disclosed |
| US-20120053051-A9 | 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-03-01 | — | — | US | disclosed |
| EP-2360157-A1 | 5-aryl isoxazolines for controlling invertebrate pests | E. I. du Pont de Nemours and Company (US) | 2011-08-24 | — | — | EP | disclosed |
| US-20110152081-A1 | 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-06-23 | — | — | US | disclosed |
| US-7897630-B2 | 5-aryl isoxazolines for controlling invertebrate pests | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-03-01 | — | — | US | disclosed |
| US-20090133319-A1 | 5-Aryl Isoxazolines for Controlling Invertebrate Pests | E. I. DU PONT DE NEMOURS AND COMPANY (DE) | 2009-05-28 | — | — | US | disclosed |
| EP-1966195-A2 | 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007075459-A2 | 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-07-05 | — | — | WO | disclosed |