⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7820321 | 0.82 | SLC22A6 (0.50) | — | |
| SCHEMBL10429511 | 0.80 | CACNA2D1 (0.38) | — | |
| SCHEMBL10836108 | 0.79 | — | — | |
| SCHEMBL1132148 | 0.77 | MME (0.38) | — | |
| SCHEMBL6460798 | 0.77 | — | — | |
| SCHEMBL7521295 | 0.77 | — | — | |
| SCHEMBL158448 | 0.77 | — | — | |
| SCHEMBL1868227 | 0.77 | — | — | |
| SCHEMBL7920481 | 0.76 | SLC22A6 (0.39) | — | |
| SCHEMBL10512546 | 0.74 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011022536-A1 | NOVEL HYDRO-ALKOXYL CITRONELLAL COMPOUNDS-SYNTHETIC ROUTES, COMPOSITIONS AND USES THEREOF | SAMI LABS LIMITED (IN) | 2011-02-24 | — | — | WO | claimed |
| US-7842842-B1 | Hydro-alkoxyl citronellal compounds—synthetic routes, compositions and uses thereof | SAMI LABS LTD. (IN) | 2010-11-30 | — | — | US | claimed |
| US-20230131260-A1 | SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | SYNGENTA CROP PROTECTION AG (CH) | 2023-04-27 | — | — | US | disclosed |
| US-11497212-B2 | Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents | SYNGENTA CROP PROTECTION AG (CH) | 2022-11-15 | — | — | US | disclosed |
| US-11274083-B2 | Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents | SYNGENTA CROP PROTECTION AG (CH) | 2022-03-15 | — | — | US | disclosed |
| EP-3728237-B1 | SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS | SYNGENTA CROP PROTECTION AG (CH) | 2022-02-09 | — | — | EP | disclosed |
| EP-3728235-B1 | SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS | SYNGENTA CROP PROTECTION AG (CH) | 2022-02-09 | — | — | EP | disclosed |
| CN-113166036-A | Photopolymerisable sensitizers having migration resistance | 川崎化成工业株式会社 | 2021-07-23 | — | — | CN | disclosed |
| US-20210087151-A1 | SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | SYNGENTA CROP PROTECTION AG (CH) | 2021-03-25 | — | — | US | disclosed |
| CN-112218860-A | Substituted phenylthiouracils, their salts and their use as herbicides | 先正达农作物保护股份公司 | 2021-01-12 | — | — | CN | disclosed |
| CN-112154147-A | Substituted phenylthiouracils, their salts and their use as herbicides | 先正达农作物保护股份公司 | 2020-12-29 | — | — | CN | disclosed |
| EP-3728237-A1 | SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | Syngenta Crop Protection AG (CH) | 2020-10-28 | — | — | EP | disclosed |
| EP-3728235-A1 | SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | Syngenta Crop Protection AG (CH) | 2020-10-28 | — | — | EP | disclosed |
| US-20200315174-A1 | SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | SYNGENTA CROP PROTECTION AG (CH) | 2020-10-08 | — | — | US | disclosed |
| US-20120190879-A1 | HYDROCHLORINATION OF ELECTRON-DEFICIENT ALKENES | FUTURE FUEL CHEMICAL COMPANY | 2012-07-26 | — | — | US | disclosed |
| US-6903233-B2 | Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2005-06-07 | — | — | US | disclosed |
| US-20030225301-A1 | Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2003-12-04 | — | — | US | disclosed |
| EP-1344763-A1 | Process for producing optically active 3-halogenocarboxylic acid esters and 3-azide-carboxylic acid esters | Takasago International Corporation (JP) | 2003-09-17 | — | — | EP | disclosed |