⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL508545 | 1.00 | — | — | |
| Acetonitrile SCHEMBL10523138 | 1.00 | — | — | |
| Acetonitrile SCHEMBL350933 | 1.00 | — | — | |
| Acetonitrile SCHEMBL10524251 | 1.00 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL1330624 | 1.00 | — | — | |
| Acetonitrile SCHEMBL10051948 | 1.00 | — | — | |
| Acetonitrile SCHEMBL6693864 | 1.00 | — | — | |
| Acetonitrile SCHEMBL2562219 | 1.00 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL1331294 | 1.00 | — | — | |
| Acetonitrile SCHEMBL30536990 | 1.00 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119684175-A | Preparation method of ethyl thioglycolate | 长沙贝塔医药科技有限公司 | 2025-03-25 | — | — | CN | claimed |
| CN-119684175-A | Preparation method of ethyl thioglycolate | 长沙贝塔医药科技有限公司 | 2025-03-25 | — | — | CN | disclosed |
| EP-4223856-A2 | FUEL MARKERS | Authentix, Inc. (US) | 2023-08-09 | — | — | EP | 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-8563777-B2 | Ionizable isotopic labeling reagents for relative quantification by mass spectrometry | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-10-22 | — | — | US | disclosed |
| US-20120022230-A1 | IONIZABLE ISOTOPIC LABELING REAGENTS FOR RELATIVE QUANTIFICATION BY MASS SPECTROMETRY | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2012-01-26 | — | — | 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 |