⚠ 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 | |
|---|---|---|---|---|
| Ethyl Bromo Acetate SCHEMBL1332675 | 1.00 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1332025 | 1.00 | — | — | |
| Ethyl Bromo Acetate SCHEMBL5658 | 1.00 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1856134 | 0.97 | — | — | |
| Ethyl Bromo Acetate SCHEMBL14485097 | 0.97 | ALDH1A1 (0.94) | — | |
| Ethyl Bromo Acetate SCHEMBL3688089 | 0.97 | — | — | |
| Ethyl Bromo Acetate SCHEMBL27530735 | 0.97 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1856136 | 0.95 | — | — | |
| Ethyl Bromo Acetate SCHEMBL4675250 | 0.92 | ALDH1A1 (0.85) | — | |
| Ethyl Bromo Acetate SCHEMBL4334995 | 0.92 | ALDH1A1 (0.85) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113004300-B | Stable isotope labeled patulin and synthesis method thereof | 上海海关动植物与食品检验检疫技术中心 | 2023-06-27 | — | — | CN | claimed |
| CN-113004300-B | Stable isotope labeled patulin and synthesis method thereof | 上海海关动植物与食品检验检疫技术中心 | 2023-06-27 | — | — | CN | disclosed |
| CN-109503591-B | Pharmaceutical compositions of dihydropyrazinopyrazine compounds, solid forms thereof and their use | 西格诺药品有限公司 | 2022-03-01 | — | — | CN | disclosed |
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-9403829-B2 | Pharmaceutical compositions of 7-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-((trans)-4-methoxycyclohexyl)-3,4-dihydropyrazino [2,3-b]pyrazin-2(1H)-one, a solid form thereof and methods of their use | SIGNAL PHARMACEUTICALS, LLC (US) | 2016-08-02 | — | — | US | disclosed |
| US-20130142873-A1 | PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE | SIGNAL PHARMACEUTICALS, LLC (US) | 2013-06-06 | — | — | US | disclosed |
| US-20130142873-A1 | PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE | SIGNAL PHARMACEUTICALS, LLC (US) | 2013-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |