Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Isobutane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL28999947 | 1.00 | — | — | |
| Isobutane SCHEMBL28999929 | 1.00 | ALDH1A1 (0.43) | — | |
| Isobutane SCHEMBL28376961 | 0.91 | — | — | |
| Isobutane SCHEMBL27999649 | 0.91 | ALDH1A1 (0.38) | — | |
| Isobutane SCHEMBL27610905 | 0.91 | — | — | |
| Isobutane SCHEMBL30536981 | 0.89 | — | — | |
| Isobutane SCHEMBL7754023 | 0.89 | TSHR (0.50) | — | |
| Isobutane SCHEMBL20490082 | 0.89 | TSHR (0.50) | — | |
| Isobutane SCHEMBL11313074 | 0.89 | TSHR (0.50) | — | |
| Isobutane SCHEMBL768 | 0.89 | — | — |
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 363 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107382982-B | dicyanomethylene-4H-pyran derivative and preparation method and application thereof | 温州大学 | 2020-07-31 | — | — | CN | claimed |
| CN-110229117-A | A kind of novel preparation method of Febustat | 福安药业集团重庆博圣制药有限公司 | 2019-09-13 | — | — | CN | claimed |
| CN-110156664-A | A kind of synthetic method of piperazine Ma Selin | 常州大学 | 2019-08-23 | — | — | CN | claimed |
| CN-106906028-B | A kind of graphene antiwear composite agent and preparation method thereof | 深圳市百顺源节能科技有限公司 | 2019-07-30 | — | — | CN | claimed |
| CN-109517207-A | A kind of medical macromolecular materials and preparation method thereof with anti-adhesive sterilizing function surface | 中国科学院长春应用化学研究所 | 2019-03-26 | — | — | CN | claimed |
| CN-109503513-A | A kind of \" one kettle way \" synthetic method of Febustat intermediate | 嘉实（湖南）医药科技有限公司 | 2019-03-22 | — | — | CN | claimed |
| CN-109320474-A | A kind of preparation method of Febustat | 昆明源瑞制药有限公司 | 2019-02-12 | — | — | CN | claimed |
| CN-108947891-A | The method for safely preparing a Mo Fanselin and its tartrate using triphosgene | 丽珠集团新北江制药股份有限公司 | 2018-12-07 | — | — | CN | claimed |
| CN-107216271-B | Tartaric acid Mo Fanselin impurity and preparation method thereof | 沈阳药科大学 | 2018-11-13 | — | — | CN | claimed |
| CN-108794351-A | A kind of preparation method of Mo Fanselin key intermediate | 丽珠集团新北江制药股份有限公司 | 2018-11-13 | — | — | CN | claimed |
| CN-101921243-A | Method for preparing 2-(3-formacyl-4-isobutoxyphenyl)-4-methyl-1,3 thiazole-5-carboxylic acid ethyl ester | QINGDAO HUANGHAI PHARMACEUTICAL CO LTD | 2010-12-22 | — | — | CN | claimed |
| CN-101863854-A | Synthesis method of 2-(3-cyan-4-isobutoxy) phenyl-4-methyl-5-thiazole formic acid | UNIV SHENYANG PHARMACEUTICAL | 2010-10-20 | — | — | CN | claimed |
| CN-101759657-A | Preparation method of important intermediate of novel febuxostat | ZHEJIANG HUAHAI PHARM CO LTD | 2010-06-30 | — | — | CN | claimed |
| CN-101671261-A | Preparation method of N-alkyl m-aminophenol | SHOUGUANG FUKANG PHARMACEUTICA | 2010-03-17 | — | — | CN | claimed |
| CN-101608401-A | Preparation method of polyester durable flame retardant | JIANGSU LISIDE CHEMICAL CO LTD (CN) | 2009-12-23 | — | — | CN | claimed |
| CN-101497589-A | Method for synthesizing 2-(3-cyano-4- isobutoxy phenyl)-4-methyl-carboxylate | UNIV SHENYANG PHARMACEUTICAL (CN) | 2009-08-05 | — | — | CN | claimed |
| CN-101468956-A | Schiff base compound and synthesizing method thereof | BYD CO LTD (CN) | 2009-07-01 | — | — | CN | claimed |
| CN-101386598-A | New compounds, preparation method and use thereof | SHANGHAI PESTICIDE RES INST (CN) | 2009-03-18 | — | — | CN | claimed |
| CN-101225073-A | Ionic liquid as well as preparation method and its use in biological transesterification synthesis | UNIV JIANGNAN (CN) | 2008-07-23 | — | — | CN | claimed |
| CN-1054602-C | Meta-nisoldipine and its synthetic method | HEBEI MEDICAL COLLEGE (CN) | 2000-07-19 | — | — | CN | claimed |