⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL133844 | 0.96 | — | — | |
| SCHEMBL1149050 | 0.69 | — | — | |
| SCHEMBL1148930 | 0.69 | — | — | |
| SCHEMBL247328 | 0.69 | — | — | |
| SCHEMBL5329378 | 0.65 | — | — | |
| SCHEMBL6138251 | 0.62 | — | — | |
| SCHEMBL8786973 | 0.61 | — | — | |
| SCHEMBL11662818 | 0.59 | MEN1 (0.35) | — | |
| SCHEMBL11413992 | 0.59 | MAPK1 (0.30) | — | |
| SCHEMBL246941 | 0.59 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114813986-A | Lipid metabolite group for predicting high-risk type dilated cardiomyopathy | 北京市心肺血管疾病研究所 | 2022-07-29 | — | — | CN | claimed |
| CN-114813986-A | Lipid metabolite group for predicting high-risk type dilated cardiomyopathy | 北京市心肺血管疾病研究所 | 2022-07-29 | — | — | CN | disclosed |
| CN-106834251-B | Phospholipase A2 and method for preparing 2-DHA-PS by using same | 天津科技大学 | 2020-02-18 | — | — | CN | disclosed |
| CN-110325516-A | HETEROARYL COMPOUNDS AND THEIR USE | 米尼奥尔克斯治疗有限公司 | 2019-10-11 | — | — | CN | disclosed |
| US-9458179-B2 | Quinuclidine, 1-azabicyclo[2.2.1]heptane, 1-azabicyclo [3.2.1]octane, and 1-azabicyclo[3.2.2]nonane compounds as alpha-7 nicotinic acetylcholine receptor ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-10-04 | — | — | US | disclosed |
| US-20150322089-A1 | QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-11-12 | — | — | US | disclosed |
| US-20140221377-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL MYERS SQUIBB CO (US) | 2014-08-07 | — | — | US | disclosed |
| US-20120035178-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY | 2012-02-09 | — | — | US | disclosed |
| EP-1075483-A2 | HYGROMYCIN A DERIVATIVES | Pfizer Products Inc. (US) | 2001-02-14 | — | — | EP | disclosed |
| WO-1999057125-A2 | HYGROMYCIN A DERIVATIVES | PFIZER PRODUCTS INC. (US) | 1999-11-11 | — | — | WO | disclosed |
| WO-1995031183-A1 | CELL MEMBRANE FUSION COMPOSITION AND METHOD | WASHINGTON UNIVERSITY (US) | 1995-11-23 | — | — | WO | disclosed |