Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Butadiene. 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 | |
|---|---|---|---|---|
| Acrolein SCHEMBL11040112 | 0.86 | — | — | |
| Nitric Acid SCHEMBL11013793 | 0.81 | — | — | |
| Nitric Acid SCHEMBL6859783 | 0.81 | CA5A (0.57) | — | |
| Nitric Acid SCHEMBL1232080 | 0.81 | — | — | |
| Nitric Acid SCHEMBL6036949 | 0.79 | — | — | |
| Nitric Acid SCHEMBL11143086 | 0.79 | CA5A (0.80) | — | |
| Nitric Acid SCHEMBL28738753 | 0.79 | CA5A (0.80) | — | |
| Nitric Acid SCHEMBL17054356 | 0.79 | — | — | |
| Nitric Acid SCHEMBL3762342 | 0.78 | CA5A (1.00) | — | |
| Nitric Acid SCHEMBL234 | 0.78 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130231416-A1 | Slag Compositions and Methods of Use | HALLIBURTON ENERGY SERVICES, INC. (US) | 2013-09-05 | — | — | US | claimed |
| US-20120157578-A1 | Cement Compositions and Associated Methods Comprising Sub-Micron Calcium Carbonate and Latex | HALLIBURTON ENERGY SERVICES, INC. (US) | 2012-06-21 | — | — | US | claimed |
| US-20210316124-A1 | TETHERED ULTRASOUND DEVICES AND USES THEREOF | SUONO BIO, INC. | 2021-10-14 | — | — | US | disclosed |
| US-20210252265-A1 | DEVICES AND METHODS FOR ULTRASONIC DELIVERY OF AN AGENT WITHIN AN ORAL CAVITY | SUONO BIO, INC. (US) | 2021-08-19 | — | — | US | disclosed |
| EP-3863502-A1 | TETHERED ULTRASOUND DEVICES AND USES THEREOF | Suono Bio, Inc. (US) | 2021-08-18 | — | — | EP | disclosed |
| CN-112912127-A | Tethered ultrasound devices and uses thereof | 索诺生物股份有限公司 | 2021-06-04 | — | — | CN | disclosed |
| EP-3823722-A1 | DEVICES AND METHODS FOR ULTRASONIC DELIVERY OF AN AGENT WITHIN AN ORAL CAVITY | Suono Bio, Inc. (US) | 2021-05-26 | — | — | EP | disclosed |
| US-10858296-B1 | Energetics, compositions, manufacture and applications | MYRICK JAMES J (US) | 2020-12-08 | — | — | US | disclosed |
| WO-2020018866-A1 | DEVICES AND METHODS FOR ULTRASONIC DELIVERY OF AN AGENT WITHIN AN ORAL CAVITY | SUONO BIO, INC. (US) | 2020-01-23 | — | — | WO | disclosed |
| US-9765271-B2 | Nanoparticles, compositions, manufacture and applications | MYRICK JAMES J (US) | 2017-09-19 | — | — | US | disclosed |
| CN-102256689-B | Venting and filtration systems with gas permeable membrane | POROUS MEDIA CORP | 2015-06-03 | — | — | CN | disclosed |
| US-20140227548-A1 | Nanoparticles, Compositions, Manufacture and Applications | MYRICK JAMES J (US) | 2014-08-14 | — | — | US | disclosed |
| US-8540808-B2 | Venting and filtration systems with gas permeable membrane | POROUS MEDIA CORPORATION (US) | 2013-09-24 | — | — | US | disclosed |
| US-8540807-B2 | Venting and filtration systems with gas permeable membrane | POROUS MEDIA CORPORATION (US) | 2013-09-24 | — | — | US | disclosed |
| US-20120227587-A1 | Venting and Filtration Systems with Gas Permeable Membrane | PENTAIR FILTRATION SOLUTIONS, LLC | 2012-09-13 | — | — | US | disclosed |
| EP-2222628-B1 | FORMATION OF NITRATE ESTERS IN MICROREACTORS AND MILLIREACTORS USING A CONTINUOUS PRODUCT EXTRACTION IN A TURBULENT FLOW REGIME | DSM FINE CHEM AUSTRIA GMBH (AT) | 2012-07-18 | — | — | EP | disclosed |
| CN-102256689-A | Venting and filtration systems with gas permeable membrane | POROUS MEDIA CORP | 2011-11-23 | — | — | CN | disclosed |
| WO-2010059395-A1 | VENTING AND FILTRATION SYSTEMS WITH GAS PERMEABLE MEMBRANE | POROUS MEDIA CORPORATION (US) | 2010-05-27 | — | — | WO | disclosed |
| US-20100107878-A1 | Venting and Filtration Systems with Gas Permeable Membrane | PENTAIR FILTRATION SOLUTIONS, LLC | 2010-05-06 | — | — | US | disclosed |