⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL989622 | 1.00 | — | — | |
| SCHEMBL374935 | 0.87 | MAPK1 (0.47) | — | |
| SCHEMBL31276435 | 0.87 | MAPK1 (0.47) | — | |
| SCHEMBL25061 | 0.87 | MAPK1 (0.47) | — | |
| SCHEMBL6922015 | 0.86 | TLR4 (0.47) | — | |
| SCHEMBL3171 | 0.85 | MAPK1 (0.54) | — | |
| SCHEMBL20303983 | 0.85 | MAPK1 (0.54) | — | |
| SCHEMBL7305358 | 0.85 | MAPK1 (0.54) | — | |
| SCHEMBL31198171 | 0.85 | MAPK1 (0.46) | — | |
| SCHEMBL5864684 | 0.85 | TLR4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9328111-B2 | Substituted cycloocta[5,6]pyrido[4,3,2-de]phthalazines as PARP inhibitors | BEIGENE LTD. (KY) | 2016-05-03 | — | — | US | disclosed |
| US-7695863-B2 | rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive | UBE INDUSTRIES, LTD. (JP) | 2010-04-13 | — | — | US | disclosed |
| CN-100566005-C | The lithium secondary battery of nonaqueous electrolyte solution and this solution of use | UBE INDUSTRIES (JP) | 2009-12-02 | — | — | CN | disclosed |
| US-20080102377-A1 | rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive | UBE INDUSTRIES, LTD (JP) | 2008-05-01 | — | — | US | disclosed |
| CN-101091283-A | Nonaqueous electrolytic solution and lithium secondary battery using the same | UBE INDUSTRIES (JP) | 2007-12-19 | — | — | CN | disclosed |
| US-6054448-A | TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM. | ELI LILLY AND COMPANY LIMITED (GB) | 2000-04-25 | — | — | US | disclosed |
| EP-0837061-A1 | Pharmaceutical acidic compounds | ELI LILLY AND COMPANY LIMITED (GB) | 1998-04-22 | — | — | EP | disclosed |