⚠ 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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL23467007 | 0.87 | FFAR3 (0.50) | — | |
| Toluene SCHEMBL10462740 | 0.79 | HSD11B1 (0.47) | — | |
| SCHEMBL11362843 | 0.75 | — | — | |
| SCHEMBL11725437 | 0.75 | — | — | |
| SCHEMBL11853480 | 0.75 | — | — | |
| SCHEMBL10333609 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL10391222 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL17364907 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL11037122 | 0.73 | — | — | |
| SCHEMBL10362142 | 0.73 | — | — |
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 966 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122079842-A | Method for efficiently preparing hydroxy pinacolone 9-cis retinoic acid ester | — | 2026-05-26 | — | — | CN | claimed |
| CN-119192045-A | Method for synthesizing hydroxyl fundamental frequency pinacolone retinoic acid ester by solvent-free continuous flow | 东联际海(衢州)医药科技有限公司 | 2024-12-27 | — | — | CN | claimed |
| CN-222034677-U | Chlorine frequency apparatus for producing pinacolone | 酒泉市尚上化工有限公司 | 2024-11-22 | — | — | CN | claimed |
| CN-118221519-A | Ionic liquid and preparation method and application thereof | 厦门稀土材料研究所 | 2024-06-21 | — | — | CN | claimed |
| CN-117825550-A | Method for determining beta-receptor agonist drugs in veterinary drug preparation | 石家庄海关技术中心 | 2024-04-05 | — | — | CN | claimed |
| CN-117720451-A | Preparation method of hydroxy pinacolone retinoic acid ester | 广州优南科技有限公司 | 2024-03-19 | — | — | CN | claimed |
| CN-117658934-A | Preparation method of high-purity chlorazolone | 辽宁优创植物保护有限公司 | 2024-03-08 | — | — | CN | claimed |
| CN-117599710-A | Monochloropinacolone apparatus for producing | 酒泉市尚上化工有限公司 | 2024-02-27 | — | — | CN | claimed |
| CN-113883920-B | Method for reducing outlet temperature of air cooling tower of air separation device | 安徽华铂再生资源科技有限公司 | 2024-01-23 | — | — | CN | claimed |
| CN-116947723-A | Hydroxy pinacolone 9-cis retinoic acid ester, preparation method and application thereof | 懿奈(上海)生物科技有限公司 | 2023-10-27 | — | — | CN | claimed |
| CN-109796322-A | A kind of synthetic method of trimethyl pyruvic acid | 南京红杉生物科技有限公司 | 2019-05-24 | — | — | CN | claimed |
| CN-103709067-A | Medicinal intermediate 1-cyano-3,3-dimethyl-2-butanone preparation method | NANTONG NABAIYUAN CHEMICAL CO LTD | 2014-04-09 | — | — | CN | claimed |
| CN-101781181-A | Method of preparing chloropinacolone by gas-phase photocatalysis chlorination and special device thereof | YANCHENG QISHAN CHEMICAL SCIEN | 2010-07-21 | — | — | CN | claimed |
| CN-101602761-A | The 4-tertiary butyl-5-(1,2, the 4-triazol-1-yl)-2-benzyl imino-thiazole and preparation method thereof and application | UNIV HUNAN (CN) | 2009-12-16 | — | — | CN | claimed |
| US-20060149094-A1 | Process for generating pivaloylacetate esters via carbonylation of chloropinacolone | EASTMAN CHEMICAL COMPANY | 2006-07-06 | — | — | US | claimed |
| CN-85102994-B | Preparation method of 1-p-chlorphenyl-2- (1, 2, 4-triazole-1-yl) -4, 4-dimethylpentanol-3 (PP333) | 厦门大学 | 1987-05-27 | — | — | CN | claimed |
| US-4642385-A | BY-PRODUCT INHIBITION | MOBAY CORPORATION (US) | 1987-02-10 | — | — | US | claimed |
| CN-85102994-A | 1-is right-chloro-phenyl--2-(1,2, the 4-triazol-1-yl)-4, and the preparation method of 4-dimethyl pentanol-3 (PP333) | — | 1986-02-10 | — | — | CN | claimed |
| US-4229580-A | EFFECTING ALL STEPS SUCCESSIVELY IN THE SAME SOLVENT WITHOUT INTERMEDIATE ISOLATION | BAYER AKTIENGESELLSCHAFT (DE) | 1980-10-21 | — | — | US | claimed |
| US-4186144-A | Process for the production of cyanopinacolone | SHIONOGI & CO., LTD. (JP) | 1980-01-29 | — | — | US | claimed |