⚠ 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 SCHEMBL429587 | 0.83 | ALDH1A1 (0.50) | — | |
| Isobutane SCHEMBL11367071 | 0.83 | — | — | |
| Isobutane SCHEMBL11313074 | 0.82 | TSHR (0.50) | — | |
| Methyl Alcohol SCHEMBL58860 | 0.82 | — | — | |
| Isobutane SCHEMBL1022735 | 0.82 | — | — | |
| Isobutane SCHEMBL2162423 | 0.82 | — | — | |
| Isobutane SCHEMBL7754023 | 0.82 | TSHR (0.50) | — | |
| Methyl Alcohol SCHEMBL11426607 | 0.82 | TSHR (0.75) | — | |
| Isobutane SCHEMBL20490082 | 0.82 | TSHR (0.50) | — | |
| Isobutane SCHEMBL768 | 0.82 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0249352-A1 | The production of ethers using layered or pillared clay catalysts | The British Petroleum Company p.l.c. (GB) | 1987-12-16 | — | — | EP | claimed |
| US-4219678-A | Process for preparing pure methyl tert.-butyl ether | CHEMISCHE WERKE HULS AG (DE) | 1980-08-26 | — | — | US | claimed |
| US-10112188-B2 | Process for manufacture of a zeolite based catalyst for the conversion of methanol to olefins | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2018-10-30 | — | — | US | disclosed |
| US-10005073-B2 | Process for manufacture of a zeolite based catalyst for the conversion of methanol to olefins | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2018-06-26 | — | — | US | disclosed |
| CN-103561867-B | Improved process for making zeolite-based catalysts for converting methanol to olefins | 科莱恩产品（德国）有限公司 | 2016-10-12 | — | — | CN | disclosed |
| US-8921434-B2 | Polylactic acid composition, foam molded article thereof and method of producing the same | Uchiyama, Kosuke (JP) | 2014-12-30 | — | — | US | disclosed |
| CN-103974941-A | Process for preparing an epoxide from an oxygenate | SHELL INT RESEARCH | 2014-08-06 | — | — | CN | disclosed |
| US-20140079627-A1 | PROCESS FOR MANUFACTURE OF A ZEOLITE BASED CATALYST FOR THE CONVERSION OF METHANOL TO OLEFINS | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2014-03-20 | — | — | US | disclosed |
| US-20140058181-A1 | PROCESS FOR MANUFACTURE OF A ZEOLITE BASED CATALYST FOR THE CONVERSION OF METHANOL TO OLEFINS | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2014-02-27 | — | — | US | disclosed |
| US-20130203877-A1 | POLYLACTIC ACID COMPOSITION, FOAM MOLDED ARTICLE THEREOF AND METHOD OF PRODUCING THE SAME | Uchiyama, Kosuke (JP) | 2013-08-08 | — | — | US | disclosed |
| US-8440864-B2 | Process for producing sec-butylbenzene | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2013-05-14 | — | — | US | disclosed |
| US-20110152577-A1 | Process for Producing Sec-Butylbenzene | EXXONMOBIL CHEMICAL PATENTS INC. | 2011-06-23 | — | — | US | disclosed |
| WO-1996022263-A1 | ETHERIFICATION PROCESS | BP CHEMICALS LIMITED (GB) | 1996-07-25 | — | — | WO | disclosed |
| EP-0249352-A1 | The production of ethers using layered or pillared clay catalysts | The British Petroleum Company p.l.c. (GB) | 1987-12-16 | — | — | EP | disclosed |
| US-4219678-A | Process for preparing pure methyl tert.-butyl ether | CHEMISCHE WERKE HULS AG (DE) | 1980-08-26 | — | — | US | disclosed |