⚠ 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 | |
|---|---|---|---|---|
| Dimethyl Sulfone SCHEMBL10688265 | 0.76 | — | — | |
| SCHEMBL570625 | 0.73 | — | — | |
| SCHEMBL11263204 | 0.73 | — | — | |
| SCHEMBL28830184 | 0.73 | KDM4E (0.42) | — | |
| Bicarbonate SCHEMBL7692947 | 0.73 | — | — | |
| Hydrogen Peroxide SCHEMBL28178154 | 0.70 | — | — | |
| Methanesulfonamide SCHEMBL9492356 | 0.70 | — | — | |
| Acetic Acid SCHEMBL6288674 | 0.70 | FFAR3 (0.58) | — | |
| Acetic Acid SCHEMBL440498 | 0.70 | — | — | |
| SCHEMBL4577308 | 0.70 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100589903-C | Preparation method of uncoated nanometer metal oxide powder | UNIV DALIAN TECH | 2010-02-17 | — | — | CN | claimed |
| US-20100016259-A1 | Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-01-21 | — | — | US | claimed |
| CN-100999022-A | Preparation method of uncoated nanometer metal oxide powder | UNIV DALIAN TECH (CN) | 2007-07-18 | — | — | CN | claimed |
| CN-116669548-A | Low drift, rain wash resistant, high absorption and ULV tank mix adjuvant formulations | 拜耳公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-108299258-A | A kind of synthetic method to thiamphenicol benzoic acid | 青岛科技大学 | 2018-07-20 | — | — | CN | disclosed |
| EP-3133053-B1 | (E)-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME | SHINETSU CHEMICAL CO (JP) | 2018-01-17 | — | — | EP | disclosed |
| US-9725400-B2 | (E)-2-isopropyl-5-methyl-3,5-hexadienoate compound, method for producing the same, and methods for producing (E)-2-isopropyl-5-methyl-3,5-hexadienol and (E)-2-isopropyl-5-methyl-3,5-hexadienyl carboxylate by using the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-08-08 | — | — | US | disclosed |
| US-20170050913-A1 | (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-02-23 | — | — | US | disclosed |
| EP-3133053-A1 | (E)-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME | Shin-Etsu Chemical Co., Ltd. (JP) | 2017-02-22 | — | — | EP | disclosed |
| US-9365588-B2 | Benzoxazines as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-06-14 | — | — | US | disclosed |
| US-20140309220-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-10-16 | — | — | US | disclosed |
| CN-100589903-C | Preparation method of uncoated nanometer metal oxide powder | UNIV DALIAN TECH | 2010-02-17 | — | — | CN | disclosed |
| CN-100999022-A | Preparation method of uncoated nanometer metal oxide powder | UNIV DALIAN TECH (CN) | 2007-07-18 | — | — | CN | disclosed |
| CN-1401709-A | Ink for waterproof ink-jet printing, spray drawing and ink-jet printing of fabric | DALIAN SCI & ENGRG UNIV (CN) | 2003-03-12 | — | — | CN | disclosed |
| CN-1314906-A | Salts of paroxetine | SMITHKLINE BEECHAM PLC (GB) | 2001-09-26 | — | — | CN | disclosed |
| EP-0478390-B1 | Improved method for the preparation of 4-methylsulfonyl benzoic acid derivatives and intermediates | ZENECA LTD (GB) | 1995-02-22 | — | — | EP | disclosed |
| EP-0478390-A1 | Improved method for the preparation of 4-methylsulfonyl benzoic acid derivatives and intermediates | ZENECA LIMITED (GB) | 1992-04-01 | — | — | EP | disclosed |
| US-5079381-A | Method for the preparation of 4-methylsulfonyl benzoic acid derivatives and intermediates | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-01-07 | — | — | US | disclosed |
| EP-0353187-A2 | Herbicides | CIBA-GEIGY AG (CH) | 1990-01-31 | — | — | EP | disclosed |
| EP-0053448-B1 | PRE-SHAMPOO TYPE HAIR TREATMENT COMPOSITION | KAO SOAP CO., LTD. (JP) | 1985-09-11 | — | — | EP | disclosed |