⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL409030 | 0.78 | KDM4E (0.55) | — | |
| Hydrochloric Acid SCHEMBL28670387 | 0.76 | KDM4E (0.53) | — | |
| SCHEMBL4728794 | 0.76 | KDM4E (0.52) | — | |
| Phosphine SCHEMBL17979775 | 0.76 | KDM4E (0.53) | — | |
| SCHEMBL1422332 | 0.75 | — | — | |
| SCHEMBL31467723 | 0.75 | — | — | |
| SCHEMBL9895103 | 0.75 | — | — | |
| SCHEMBL6044922 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL8052161 | 0.74 | KDM4E (0.50) | — | |
| Hydrochloric Acid SCHEMBL6749305 | 0.74 | KDM4E (0.50) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107389829-B | Method and device that is a kind of while detecting 3 kinds of metabolites of urine Chlorpyrifos | 环境保护部南京环境科学研究所 | 2019-10-25 | — | — | CN | claimed |
| CN-109946454-A | A kind of Dursban monoclonal antibody and the preparation method and application thereof | 苏州快捷康生物技术有限公司 | 2019-06-28 | — | — | CN | claimed |
| EP-3414237-A1 | SUBSTITUTED 2-OXYIMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS | Bayer CropScience Aktiengesellschaft (DE) | 2018-12-19 | — | — | EP | claimed |
| CN-107389829-A | Method and device that is a kind of while detecting 3 kinds of metabolites of urine Chlorpyrifos | 环境保护部南京环境科学研究所 | 2017-11-24 | — | — | CN | claimed |
| CN-107389829-B | Method and device that is a kind of while detecting 3 kinds of metabolites of urine Chlorpyrifos | 环境保护部南京环境科学研究所 | 2019-10-25 | — | — | CN | disclosed |
| CN-107389829-B | Method and device that is a kind of while detecting 3 kinds of metabolites of urine Chlorpyrifos | 环境保护部南京环境科学研究所 | 2019-10-25 | — | — | CN | disclosed |
| CN-110016050-A | A kind of stable isotope labeling chlopyrifos and its derivative and synthesis preparation method | 上海出入境检验检疫局动植物与食品检验检疫技术中心 | 2019-07-16 | — | — | CN | disclosed |
| CN-105541699-B | A kind of preparation method of 3,5 dichloro, 2 pyridine alcohol | 浙江理工大学 | 2018-04-17 | — | — | CN | disclosed |
| CN-107389829-A | Method and device that is a kind of while detecting 3 kinds of metabolites of urine Chlorpyrifos | 环境保护部南京环境科学研究所 | 2017-11-24 | — | — | CN | disclosed |
| US-8143419-B2 | Trisubstituted 1,2,4-triazoles | JANSSEN PHARMACEUTICA N. V. (BE) | 2012-03-27 | — | — | US | disclosed |
| CN-101863828-B | 3, 5, 6-three-halogenated pyridyl ethers compound and application thereof | SINOCHEM GROUP CO LTD | 2012-01-11 | — | — | CN | disclosed |
| CN-101863828-A | 3, 5, 6-three-halogenated pyridyl ethers compound and application thereof | SHENYANG RES INST CHEMICAL IND | 2010-10-20 | — | — | CN | disclosed |
| US-20090253691-A1 | TRISUBSTITUTED 1,2,4-TRIAZOLES | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-10-08 | — | — | US | disclosed |