⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3667016 | 0.97 | — | — | |
| SCHEMBL6400403 | 0.94 | — | — | |
| SCHEMBL28667030 | 0.79 | — | — | |
| SCHEMBL27864183 | 0.78 | — | — | |
| SCHEMBL28734825 | 0.77 | — | — | |
| SCHEMBL6061601 | 0.76 | — | — | |
| SCHEMBL2054068 | 0.74 | DPP4 (0.30) | — | |
| SCHEMBL5425009 | 0.74 | — | — | |
| Iodide SCHEMBL29025952 | 0.74 | — | — | |
| SCHEMBL3672766 | 0.74 | — | — |
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-105037170-A | 1-methyl-3,5-diethyl-diaminocyclohexane and preparation method thereof | SHANDONG LECRON ENERGY SAVING NEW MATERIAL CO LTD | 2015-11-11 | — | — | CN | claimed |
| CN-105037170-A | 1-methyl-3,5-diethyl-diaminocyclohexane and preparation method thereof | SHANDONG LECRON ENERGY SAVING NEW MATERIAL CO LTD | 2015-11-11 | — | — | CN | disclosed |
| EP-1426392-B1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2010-02-24 | — | — | EP | disclosed |
| US-6960640-B2 | Composition for optical material | MITSUBISHI GAS CHEMICAL CO., LTD. (JP) | 2005-11-01 | — | — | US | disclosed |
| US-20040147708-A1 | Composition for optical material | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-07-29 | — | — | US | disclosed |
| EP-1426392-A1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-06-09 | — | — | EP | disclosed |
| US-6121493-A | Isomerization of cyclohexylamines to produce their thermodynamic isomeric form | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2000-09-19 | — | — | US | disclosed |