⚠ 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 | |
|---|---|---|---|---|
| Bromoacetic Acid SCHEMBL1332132 | 1.00 | — | — | |
| Bromoacetic Acid SCHEMBL16011275 | 1.00 | TSHR (1.00) | — | |
| Bromoacetic Acid SCHEMBL23032 | 1.00 | — | — | |
| Bromoacetic Acid SCHEMBL7617676 | 1.00 | — | — | |
| Bromoacetic Acid SCHEMBL1332313 | 1.00 | — | — | |
| Bromoacetic Acid SCHEMBL6913854 | 0.95 | — | — | |
| Bromoacetic Acid SCHEMBL961867 | 0.95 | — | — | |
| Bromoacetic Acid SCHEMBL6916755 | 0.95 | — | — | |
| Bromoacetic Acid SCHEMBL11476950 | 0.95 | — | — | |
| Bromoacetic Acid SCHEMBL4254284 | 0.95 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3692372-B1 | SULFOXIDE-BASED REAGENT FOR MASS SPECTROMETRY | HOFFMANN LA ROCHE (CH) | 2024-04-17 | — | — | EP | disclosed |
| US-11370756-B2 | Sulfoxide-based reagent for mass spectrometry | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2022-06-28 | — | — | US | disclosed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | 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-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 |