⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27465016 | 0.65 | — | — | |
| SCHEMBL27746546 | 0.63 | — | — | |
| SCHEMBL27690987 | 0.63 | — | — | |
| SCHEMBL27592829 | 0.63 | — | — | |
| SCHEMBL43654 | 0.60 | ALDH1A1 (0.38) | — | |
| SCHEMBL27987977 | 0.58 | — | — | |
| SCHEMBL8754570 | 0.57 | — | — | |
| SCHEMBL2783806 | 0.56 | CYP2D6 (0.31) | — | |
| SCHEMBL6454071 | 0.56 | — | — | |
| Ethylene SCHEMBL28794343 | 0.56 | TSHR (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6639075-B2 | Prepared by subjecting a lactone-imine compound to an isomerization reaction; precursor lactone-imine compound may be prepared by rearrangement of a 3,5-dioxa-12-azawurtzitane compound | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2003-10-28 | — | — | US | claimed |
| US-20020198386-A1 | Lactam-aldehyde compound and process of preparing same | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY | 2002-12-26 | — | — | US | claimed |
| EP-1262479-A1 | Lactam-aldehyde compound and process of preparing same | DIRECTOR-GENERAL OF NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2002-12-04 | — | — | EP | claimed |
| US-6639075-B2 | Prepared by subjecting a lactone-imine compound to an isomerization reaction; precursor lactone-imine compound may be prepared by rearrangement of a 3,5-dioxa-12-azawurtzitane compound | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2003-10-28 | — | — | US | disclosed |
| US-20020198386-A1 | Lactam-aldehyde compound and process of preparing same | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY | 2002-12-26 | — | — | US | disclosed |
| EP-1262479-A1 | Lactam-aldehyde compound and process of preparing same | DIRECTOR-GENERAL OF NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2002-12-04 | — | — | EP | disclosed |