⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21416131 | 1.00 | — | — | |
| SCHEMBL9911957 | 0.84 | KDM4E (0.52) | — | |
| SCHEMBL448049 | 0.83 | ADRA2A (0.41) | — | |
| SCHEMBL20528139 | 0.81 | MGAM (0.46) | — | |
| SCHEMBL6445001 | 0.80 | MGAM (0.46) | — | |
| SCHEMBL21467458 | 0.80 | NAAA (0.38) | — | |
| SCHEMBL6444996 | 0.80 | MGAM (0.46) | — | |
| SCHEMBL3892225 | 0.79 | — | — | |
| SCHEMBL7745837 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL6552702 | 0.79 | TSHR (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106537145-B | Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment | 麦特博隆股份有限公司 | 2020-08-25 | — | — | CN | claimed |
| CN-113156096-A | Blood-based biomarkers for diagnosing coronary atherosclerotic disease | 全球基因集团有限责任公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-112585116-A | Synthesis of (2S, 3R, 4R) -4, 5-dihydroxyisoleucine and derivatives thereof | 海德堡医药研究有限责任公司 | 2021-03-30 | — | — | CN | disclosed |
| CN-107427221-B | Blood-based biomarkers for diagnosing coronary atherosclerotic disease | 全球基因集团有限责任公司 | 2021-03-09 | — | — | CN | disclosed |
| US-7993931-B1 | Oxygen-18 labeled organic acids and use in diagnosing metabolic disorders | QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) | 2011-08-09 | — | — | US | disclosed |