⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3821989 | 1.00 | — | — | |
| SCHEMBL7289883 | 0.97 | TRPA1 (0.43) | — | |
| SCHEMBL7289881 | 0.97 | TRPA1 (0.43) | — | |
| SCHEMBL7296452 | 0.85 | PPARA (0.41) | — | |
| SCHEMBL7296449 | 0.85 | PPARA (0.41) | — | |
| SCHEMBL262486 | 0.79 | — | — | |
| SCHEMBL262485 | 0.79 | — | — | |
| SCHEMBL7297392 | 0.79 | — | — | |
| SCHEMBL7297388 | 0.79 | — | — | |
| SCHEMBL21838300 | 0.77 | ALDH1A1 (0.40) | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106795174-B | Antiviral active diazacyclospirodiketopiperazine alkaloid derivative and preparation method thereof | 扬州蓝色生物医药科技有限公司 | 2020-04-28 | — | — | CN | claimed |
| CN-109069523-B | Mannan-oligosaccharide compound and application thereof as anti-RNA virus drug | 扬州蓝色生物医药科技有限公司 | 2022-05-06 | — | — | CN | disclosed |
| CN-106795174-B | Antiviral active diazacyclospirodiketopiperazine alkaloid derivative and preparation method thereof | 扬州蓝色生物医药科技有限公司 | 2020-04-28 | — | — | CN | disclosed |
| EP-1581535-B3 | PYRROLOPYRIDAZINE DERIVATIVES | ASTELLAS PHARMA INC (JP) | 2009-09-02 | — | — | EP | disclosed |
| US-7459451-B2 | e.g. 1-Ethyl-4-(5-methyl-3-pyridyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid; phosphodiesterase (PDE)-IV inhibitor or tumor necrosis factor (TNF)- alpha antagonist; autoimmune diseases, antidepressant, anxiolytic agent; polychondritis, scleroderma, fibrosis, arthritis, Alzheimer's disease | ASTELLAS PHARMA INC. (JP) | 2008-12-02 | — | — | US | disclosed |
| EP-1763528-B1 | PYRAZOLOPYRIDINE DERIVATIVES | ASTELLAS PHARMA INC (JP) | 2008-11-26 | — | — | EP | disclosed |
| EP-1581535-B9 | PYRROLOPYRIDAZINE DERIVATIVES | ASTELLAS PHARMA INC (JP) | 2008-03-19 | — | — | EP | disclosed |
| US-7317009-B2 | Pyrrolopyridazine derivatives | ASTELLAS PHARMA INC. (JP) | 2008-01-08 | — | — | US | disclosed |
| EP-1581535-B1 | PYRROLOPYRIDAZINE DERIVATIVES | ASTELLAS PHARMA INC (JP) | 2007-10-24 | — | — | EP | disclosed |
| EP-1763528-A1 | PYRAZOLOPYRIDINE DERIVATIVES | Astellas Pharma Inc. (JP) | 2007-03-21 | — | — | EP | disclosed |
| US-6426345-B1 | PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-07-30 | — | — | US | disclosed |
| EP-0874845-B1 | PYRIDO (2,3-B) PYRAZINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO (JP) | 2002-03-06 | — | — | EP | disclosed |
| US-6117875-A | Pyrido (2,3-B) pyrazine derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-09-12 | — | — | US | disclosed |
| EP-0920867-A1 | Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-06-09 | — | — | EP | disclosed |
| EP-0874845-A1 | PYRIDO (2,3-B) PYRAZINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997024355-A1 | PYRIDO (2,3-B) PYRAZINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-07-10 | — | — | WO | disclosed |
| EP-0770079-A1 | HETEROBICYCLIC DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-05-02 | — | — | EP | disclosed |
| WO-1996001825-A1 | HETEROBICYCLIC DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-01-25 | — | — | WO | disclosed |
| US-4438277-A | Hydronaphthalene derivatives | SANKYO COMPANY, LIMITED (JP) | 1984-03-20 | — | — | US | disclosed |
| US-4361515-A | Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use | SANKYO COMPANY, LIMITED (JP) | 1982-11-30 | — | — | US | disclosed |