⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9827988 | 0.94 | TSHR (0.75) | — | |
| SCHEMBL851045 | 0.90 | — | — | |
| SCHEMBL7454479 | 0.87 | TSHR (0.56) | — | |
| SCHEMBL14351852 | 0.87 | TSHR (0.56) | — | |
| SCHEMBL11225741 | 0.87 | — | — | |
| SCHEMBL850797 | 0.87 | — | — | |
| SCHEMBL27906065 | 0.80 | TSHR (0.42) | — | |
| Bicarbonate SCHEMBL11778367 | 0.78 | TSHR (0.46) | — | |
| SCHEMBL181389 | 0.77 | — | — | |
| SCHEMBL5146991 | 0.77 | — | — |
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 1201 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120060221-A | Modification method for improving substrate specificity and catalytic activity of aliphatic nitrilase and modified mutant | 江南大学 | 2025-05-30 | — | — | CN | claimed |
| CN-116675551-B | Efficient heat-insulating material of carbon fiber/biomass-based sugar carbon aerogel and ion thermal preparation method thereof | 哈尔滨工业大学 | 2025-03-11 | — | — | CN | claimed |
| CN-118867212-B | Positive electrode material, preparation method and application thereof | 浙江晶科储能有限公司 | 2025-01-24 | — | — | CN | claimed |
| CN-119303568-A | High-dispersity palladium-carbon catalyst and preparation method thereof | 长春黄金研究院烟台贵金属材料研究所有限公司 | 2025-01-14 | — | — | CN | claimed |
| CN-118867212-A | Positive electrode material, preparation method and application thereof | 浙江晶科储能有限公司 | 2024-10-29 | — | — | CN | claimed |
| CN-117024470-A | Synthesis method of 4-triethoxy silicon-based butyronitrile | 合肥国轩高科动力能源有限公司 | 2023-11-10 | — | — | CN | claimed |
| CN-116675551-A | Efficient heat-insulating material of carbon fiber/biomass-based sugar carbon aerogel and ion thermal preparation method thereof | 哈尔滨工业大学 | 2023-09-01 | — | — | CN | claimed |
| CN-115477594-A | Continuous preparation method of L-canacyanol | 山东阳谷华泰化工股份有限公司 | 2022-12-16 | — | — | CN | claimed |
| CN-115141104-A | Environment-friendly organic amine and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-10-04 | — | — | CN | claimed |
| CN-114989018-A | Synthetic method of cyclopropylamine | 山东国邦药业有限公司 | 2022-09-02 | — | — | CN | claimed |
| US-5405998-A | Process for the manufacture of cycloalkyl and haloalkyl o-aminophenyl ketones | AMERICAN CYANAMID COMPANY (US) | 1995-04-11 | — | — | US | claimed |
| EP-0110748-B1 | DERIVATIVES OF PHENYL-(3-AMINOPROPYL) KETONE, THEIR THERAPEUTICAL USE AND PROCESS FOR THEIR PREPARATION | LABORATOIRE L. LAFON Société anonyme dite: (FR) | 1987-04-22 | — | — | EP | claimed |
| EP-0110747-B1 | (2,4,6-TRIMETHOXYPHENYL)-(3-PIPERIDINOPROPYL)-KETONE DERIVATIVES, THEIR THERAPEUTICAL USE AND PREPARATION PROCESS | LABORATOIRE L. LAFON Société anonyme dite: (FR) | 1986-05-28 | — | — | EP | claimed |
| EP-0110748-A1 | Derivatives of phenyl-(3-aminopropyl) ketone, their therapeutical use and process for their preparation | LABORATOIRE L. LAFON Société anonyme dite: (FR) | 1984-06-13 | — | — | EP | claimed |
| EP-0110747-A2 | (2,4,6-Trimethoxyphenyl)-(3-piperidinopropyl)-ketone derivatives, their therapeutical use and preparation process | LABORATOIRE L. LAFON Société anonyme dite: (FR) | 1984-06-13 | — | — | EP | claimed |
| US-4205009-A | USING ANIONIC SURFACTANT | VELSICOL CHEMICAL CORPORATION (US) | 1980-05-27 | — | — | US | claimed |
| US-4059610-A | Process for preparing isocyanic acid derivatives | KAO SOAP CO., LTD. (JA) | 1977-11-22 | — | — | US | claimed |
| US-4022816-A | TRIALKYL AMMONIUM OR PHOSPHONIUM CATALYST | ETHYL CORPORATION (US) | 1977-05-10 | — | — | US | claimed |
| US-3974199-A | Process for production of cyclopropylcyanide | THE DOW CHEMICAL COMPANY (US) | 1976-08-10 | — | — | US | claimed |
| US-3941827-A | Preparation of halogenated nitriles | MICHIGAN CHEMICAL CORPORATION (US) | 1976-03-02 | — | — | US | claimed |