⚠ 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 | |
|---|---|---|---|---|
| Propanol SCHEMBL27377782 | 0.89 | — | — | |
| Acetamide SCHEMBL28277577 | 0.89 | — | — | |
| Butane SCHEMBL147084 | 0.84 | — | — | |
| Urea SCHEMBL1064520 | 0.84 | — | — | |
| Aminomethylamide SCHEMBL10628659 | 0.83 | — | — | |
| Butyl Alcohol SCHEMBL27583982 | 0.83 | — | — | |
| Propanol SCHEMBL4540911 | 0.80 | FFAR3 (0.47) | — | |
| Propanol SCHEMBL28546602 | 0.80 | FFAR3 (0.47) | — | |
| Urea SCHEMBL6723116 | 0.80 | — | — | |
| Propanol SCHEMBL15063409 | 0.80 | FFAR3 (0.47) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112871171-B | Preparation method for preparing multi-element low-carbon alcohol by gas-phase hydrogenation of dimethyl oxalate | 上海华谊能源化工有限公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-117126302-A | Method for simultaneously extracting schisandra chinensis polysaccharide and polyphenol by using temperature response type deep eutectic aqueous two-phase system | 东北农业大学 | 2023-11-28 | — | — | CN | disclosed |
| CN-107837809-B | Catalyst for preparing n-propanol by catalytic hydrogenation of dimethyl malonate and preparation method and application thereof | 上海华谊能源化工有限公司 | 2021-08-10 | — | — | CN | disclosed |
| CN-103059999-B | A kind of Paraffin production method | 中国石油化工股份有限公司 | 2016-11-16 | — | — | CN | disclosed |
| CN-203440060-U | Device for recycling hydrogen from tail gas produced by hydrogenization reaction | NANJING RONGXIN CHEMICAL IND CO LTD | 2014-02-19 | — | — | CN | disclosed |
| CN-102304019-B | Method for removing propyl propionate in process for preparing normal propyl alcohol by hydrogenating propionaldehyde | NANJING RONGXIN CHEMICAL CO LTD | 2013-09-11 | — | — | CN | disclosed |
| CN-202170312-U | Device for removing by-product ester in process of preparing alcohol through aldehyde hydrogenation | NANJING RONGXIN CHEMICAL CO LTD | 2012-03-21 | — | — | CN | disclosed |
| CN-102304019-A | Method for removing propyl propionate in process for preparing normal propyl alcohol by hydrogenating propionaldehyde | NANJING RONGXIN CHEMICAL CO LTD | 2012-01-04 | — | — | CN | disclosed |
| CN-101121659-B | Technique for producing organic carbonic acid ester by urea alcoholysis method and fixed bed reactor | SHANXI COAL CHEM INST | 2010-06-02 | — | — | CN | disclosed |
| CN-101121659-A | Technique for producing organic carbonic acid ester by urea alcoholysis method and fixed bed reactor | SHANXI COAL CHEM INST (CN) | 2008-02-13 | — | — | CN | disclosed |