⚠ 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 | |
|---|---|---|---|---|
| Pivalate SCHEMBL332912 | 0.95 | TSHR (0.61) | — | |
| Pivalate SCHEMBL3613 | 0.95 | — | — | |
| Pivalate SCHEMBL4318862 | 0.95 | — | — | |
| Pivalate SCHEMBL5116637 | 0.95 | TSHR (0.61) | — | |
| Pivalate SCHEMBL25209317 | 0.91 | — | — | |
| Pivalate SCHEMBL15771206 | 0.91 | — | — | |
| Pivalate SCHEMBL5274713 | 0.91 | TSHR (0.57) | — | |
| Pivalate SCHEMBL1685641 | 0.91 | — | — | |
| Pivalate SCHEMBL10822159 | 0.91 | — | — | |
| Pivalate SCHEMBL6516524 | 0.91 | — | — |
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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110386929-A | A kind of heterocycle mediated by copper catalyst-heterocycle C-N intersection dehydrogenation coupling reaction method | 上海莱士血液制品股份有限公司 | 2019-10-29 | — | — | CN | claimed |
| CN-106008346-B | A kind of method of palladium chtalyst synthesis aromatic aldehyde under normal pressure | 南京师范大学 | 2019-08-13 | — | — | CN | claimed |
| CN-107445880-B | A kind of trifluoromethyl modification AβThe synthetic method of -42 inhibitor structure analogs | 华南理工大学 | 2019-07-16 | — | — | CN | claimed |
| CN-109608323-A | A kind of β-trifluoromethyl-beta-hydroxy substituted cyclohexanone derivative and its synthetic method | 华南理工大学 | 2019-04-12 | — | — | CN | claimed |
| CN-106116999-B | A kind of method that iron catalysis of carbonyl is combined to two fragrant ketones | 南京师范大学 | 2019-02-01 | — | — | CN | claimed |
| CN-106316914-B | A method of preparing 3- alkenyl azole derivatives | 中国科学院大连化学物理研究所 | 2019-01-04 | — | — | CN | claimed |
| CN-108794357-A | A kind of N- difluoromethyls hydrazone compounds and its synthetic method | 华南理工大学 | 2018-11-13 | — | — | CN | claimed |
| CN-108774122-A | A method of the chloroform that no transition metal participates in is the carbonyl compound of carbonyl source into two fragrant first ketone compounds | 南京师范大学 | 2018-11-09 | — | — | CN | claimed |
| CN-105482082-B | Compound with regular structure polythiophene and its synthetic method | 中国科学院苏州纳米技术与纳米仿生研究所 | 2018-11-06 | — | — | CN | claimed |
| CN-108299383-A | The method of palladium chtalyst one pot process oil-source rock correlation | 南京邮电大学 | 2018-07-20 | — | — | CN | claimed |
| CN-105482082-A | Polythiophene with regular structure, and synthesizing method thereof | SUZHOU INST NANO TECH & NANO BIONICS CAS | 2016-04-13 | — | — | CN | claimed |
| CN-105131641-A | Indolinyl porphyrin kind dye used for dye-sensitized solar cell and preparation of indolinyl porphyrin kind dye | UNIV SICHUAN | 2015-12-09 | — | — | CN | claimed |
| CN-104962277-A | Preparation and application of organic single-molecule white light material ditriphenylamine substituted o-hydroxyphenyl azole derivative | UNIV SICHUAN | 2015-10-07 | — | — | CN | claimed |
| CN-104910139-A | Preparation method and application of mitochondrial fluorescence coloring agent 3-heteroaryl substituted-2H-indazole derivatives | UNIV SICHUAN | 2015-09-16 | — | — | CN | claimed |
| CN-104829550-A | Method for high-efficiency preparation of an o-hydroxyphenyl heterocyclic derivative through C-H/C-H oxidative coupling reaction based on transition metal catalysis | UNIV SICHUAN | 2015-08-12 | — | — | CN | claimed |
| CN-103755621-B | The method of polysubstituted indoles is prepared by aryl hydrazines and alkynes | TSINGHUA UNIVERSITY (CN) | 2015-08-05 | — | — | CN | claimed |
| CN-104803964-A | Multi-substituent isocoumarin derivative and preparation method thereof | UNIV HUAQIAO | 2015-07-29 | — | — | CN | claimed |
| CN-103951537-A | Method of synthesizing diaryl ketone under normal pressure by virtue of copper catalysis | UNIV NANJING NORMAL | 2014-07-30 | — | — | CN | claimed |
| CN-103951538-A | Method for synthesizing diarylketone under catalysis of nickel at normal pressure | UNIV NANJING NORMAL | 2014-07-30 | — | — | CN | claimed |
| CN-103755621-A | Method for preparing polysubstituted indole from aryl hydrazine and alkyne | UNIV TSINGHUA | 2014-04-30 | — | — | CN | claimed |