⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8190497 | 0.95 | — | — | |
| SCHEMBL6587010 | 0.95 | — | — | |
| SCHEMBL22834426 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL29137213 | 0.92 | — | — | |
| SCHEMBL8198716 | 0.86 | — | — | |
| SCHEMBL6591820 | 0.86 | — | — | |
| Trimethylammonium SCHEMBL28166318 | 0.85 | — | — | |
| SCHEMBL8763055 | 0.84 | — | — | |
| SCHEMBL8763444 | 0.84 | GAA (0.33) | — | |
| SCHEMBL28006695 | 0.80 | CYP1A2 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111039952-B | Synthesis method and application of epoxy resin low-curing-shrinkage expansion monomer | 南京航空航天大学 | 2021-08-24 | — | — | CN | claimed |
| CN-111039952-A | Synthesis method and application of epoxy resin low-curing-shrinkage expansion monomer | 南京航空航天大学 | 2020-04-21 | — | — | CN | claimed |
| CN-111039952-B | Synthesis method and application of epoxy resin low-curing-shrinkage expansion monomer | 南京航空航天大学 | 2021-08-24 | — | — | CN | disclosed |
| EP-3853199-A1 | 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AND 2-(6-ISOPROPYL-3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS | Symrise AG (DE) | 2021-07-28 | — | — | EP | disclosed |
| CN-111039952-A | Synthesis method and application of epoxy resin low-curing-shrinkage expansion monomer | 南京航空航天大学 | 2020-04-21 | — | — | CN | disclosed |
| WO-2020057741-A1 | 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AND 2-(6-ISOPROPYL-3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS | SYMRISE AG (DE) | 2020-03-26 | — | — | WO | disclosed |