⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL509870 | 0.85 | CYP2C9 (0.40) | — | |
| SCHEMBL289489 | 0.79 | HDAC1 (0.43) | — | |
| SCHEMBL3801577 | 0.78 | — | — | |
| SCHEMBL873970 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL250869 | 0.74 | — | — | |
| SCHEMBL10471783 | 0.74 | CES2 (0.52) | — | |
| SCHEMBL2703448 | 0.73 | — | — | |
| SCHEMBL10430794 | 0.72 | — | — | |
| SCHEMBL28856657 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11105202 | 0.72 | TSHR (0.40) | — |
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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-213555437-U | Purification device of 4-chloroacetoacetic acid methyl ester | 江苏恒安化工有限公司 | 2021-06-29 | — | — | CN | claimed |
| CN-112143436-B | Preparation method of high-temperature and high-humidity resistant polyurethane adhesive | 佛山市龙源镭射科技有限公司 | 2021-05-07 | — | — | CN | claimed |
| CN-112143438-B | Preparation method of hydrolysis-resistant polyurethane adhesive with weather resistance | 浙江圣腾胶业股份有限公司 | 2021-04-13 | — | — | CN | claimed |
| CN-109735199-B | Single-component water-based silicon steel sheet paint | 山东省环科院环境检测有限公司 | 2021-03-09 | — | — | CN | claimed |
| CN-112143438-A | Preparation method of hydrolysis-resistant polyurethane adhesive with weather resistance | 钟雨玲 | 2020-12-29 | — | — | CN | claimed |
| CN-112143436-A | Preparation method of high-temperature and high-humidity resistant polyurethane adhesive | 钟雨玲 | 2020-12-29 | — | — | CN | claimed |
| CN-112048919-A | Preparation process of warm-keeping coating fabric | 郭旭阳 | 2020-12-08 | — | — | CN | claimed |
| CN-107915631-B | Post-treatment method for continuously synthesizing 4-chloroacetoacetic acid methyl ester | 南通醋酸化工股份有限公司 | 2020-11-13 | — | — | CN | claimed |
| CN-114685274-A | Esterification method for preparing 4-methyl chloroacetoacetate | 江西迪赛诺制药有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-114685274-A | Esterification method for preparing 4-methyl chloroacetoacetate | 江西迪赛诺制药有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-114685274-A | Esterification method for preparing 4-methyl chloroacetoacetate | 江西迪赛诺制药有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-111978182-B | Post-treatment method for continuously synthesizing 4-chloroacetoacetic acid methyl ester | 江苏恒安化工有限公司 | 2022-04-19 | — | — | CN | disclosed |
| CN-112028769-B | Preparation method of high-purity 4-chloroacetoacetic acid methyl ester | 江苏恒安化工有限公司 | 2022-04-19 | — | — | CN | disclosed |
| CN-114349635-A | Synthesis method of dolutegravir core intermediate | 瑞孚信江苏药业股份有限公司 | 2022-04-15 | — | — | CN | disclosed |
| EP-0330678-B1 | INSECTICIDAL PYRAZOLINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-10-24 | — | — | EP | disclosed |
| EP-0370391-A2 | Process for the preparation of 4,5-dichloro-6-ethyl pyrimidine | LONZA AG (CH) | 1990-05-30 | — | — | EP | disclosed |
| EP-0212753-B1 | DIPHENYL ETHER HERBICIDES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-05-30 | — | — | EP | disclosed |
| EP-0330678-A1 | INSECTICIDAL PYRAZOLINES. | DU PONT (US) | 1989-09-06 | — | — | EP | disclosed |
| WO-1988006583-A1 | INSECTICIDAL PYRAZOLINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-09-07 | — | — | WO | disclosed |
| EP-0212753-A1 | Diphenyl ether Herbicides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1987-03-04 | — | — | EP | disclosed |