⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1532527 | 0.98 | ALDH1A1 (0.56) | — | |
| SCHEMBL14673470 | 0.98 | ALDH1A1 (0.56) | — | |
| SCHEMBL5694217 | 0.98 | ALDH1A1 (0.56) | — | |
| SCHEMBL8440104 | 0.98 | ALDH1A1 (0.56) | — | |
| SCHEMBL4987219 | 0.98 | ALDH1A1 (0.56) | — | |
| SCHEMBL10845203 | 0.98 | ALDH1A1 (0.56) | — | |
| SCHEMBL9533237 | 0.98 | ALDH1A1 (0.56) | — | |
| SCHEMBL408956 | 0.92 | — | — | |
| Phosphine SCHEMBL10880551 | 0.90 | — | — | |
| SCHEMBL28826980 | 0.87 | ALDH1A1 (0.54) | — |
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 201 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116023544-B | Catalyst component for olefin polymerization, preparation method thereof, catalyst and olefin polymerization method | 中国石油化工股份有限公司 | 2024-12-06 | — | — | CN | claimed |
| CN-116023542-B | Catalyst component, catalyst and preparation method and application thereof | 中国石油化工股份有限公司 | 2024-09-17 | — | — | CN | claimed |
| CN-109776484-B | Synthesis method of 1, 4-butane sultone | 河北圣泰材料股份有限公司 | 2023-05-09 | — | — | CN | claimed |
| CN-111175413-B | Method for detecting content of 4-chlorobutanol acetate in sulfobutyl-beta-cyclodextrin sodium raw material or preparation thereof | 山东滨州智源生物科技有限公司 | 2022-08-02 | — | — | CN | claimed |
| CN-111499547-A | Preparation method and application of alkyl ether sulfonyl fluoride compound | 江汉大学 | 2020-08-07 | — | — | CN | claimed |
| CN-111410600-A | Preparation method of p-phenylbutoxy benzoic acid | 安徽省诚联医药科技有限公司 | 2020-07-14 | — | — | CN | claimed |
| CN-111175413-A | Method for detecting content of 4-chlorobutanol acetate in sulfobutyl-beta-cyclodextrin sodium raw material or preparation thereof | 山东滨州智源生物科技有限公司 | 2020-05-19 | — | — | CN | claimed |
| US-20180282155-A1 | CHEMICALLY SENSITIVE FIELD EFFECT TRANSISTORS AND USES THEREOF IN ELECTRONIC NOSE DEVICES | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. | 2018-10-04 | — | — | US | claimed |
| CN-103772542-B | A kind of catalyst component for ethene slurry polymerization and catalyzer thereof | SINOPEC CORP. (CN) | 2016-03-30 | — | — | CN | claimed |
| CN-103772542-A | Catalyst component for ethylene slurry polymerization reaction, and catalyst thereof | CHINA PETROLEUM & CHEMICAL | 2014-05-07 | — | — | CN | claimed |
| US-20040019243-A1 | 1,3-Bis(trifluoromethyl)benzene derivatives | SYNPROTEC LIMITED (GB) | 2004-01-29 | — | — | US | claimed |
| EP-1334080-A1 | 1,3-BIS(TRIFLUOROMETHYL)BENZENE DERIVATIVES | Synprotec Limited (GB) | 2003-08-13 | — | — | EP | claimed |
| WO-2002024615-A1 | 1,3-BIS(TRIFLUOROMETHYL)BENZENE DERIVATIVES | SYNPROTEC LIMITED (GB) | 2002-03-28 | — | — | WO | claimed |
| US-4094850-A | POLYOLEFIN, HALOGENATED CARBOXYLIC ESTERS AS PLASTICIZER | MONSANTO COMPANY (US) | 1978-06-13 | — | — | US | claimed |
| US-4005126-A | Preparation of haloalkyl esters | UNIVERSAL OIL PRODUCTS COMPANY (US) | 1977-01-25 | — | — | US | claimed |
| US-4005125-A | Preparation of haloalkyl esters | UNIVERSAL OIL PRODUCTS COMPANY (US) | 1977-01-25 | — | — | US | claimed |
| JP-11193274-A | — | — | None | — | — | JP | disclosed |
| JP-62215550-A | — | — | None | — | — | JP | disclosed |
| US-4005126-A | Preparation of haloalkyl esters | UNIVERSAL OIL PRODUCTS COMPANY (US) | 1977-01-25 | — | — | US | disclosed |
| US-4005125-A | Preparation of haloalkyl esters | UNIVERSAL OIL PRODUCTS COMPANY (US) | 1977-01-25 | — | — | US | disclosed |