⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1898515 | 0.83 | ALDH1A1 (0.62) | — | |
| SCHEMBL6360345 | 0.83 | ALDH1A1 (0.62) | — | |
| SCHEMBL2801955 | 0.79 | ALDH1A1 (0.56) | — | |
| Pentaerythritol Tetranitrate SCHEMBL920358 | 0.77 | ALDH1A1 (1.00) | — | |
| Pentaerythritol Tetranitrate SCHEMBL37177 | 0.77 | ALDH1A1 (1.00) | — | |
| SCHEMBL5151075 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL2802430 | 0.75 | ALDH1A1 (0.52) | — | |
| Pentaerythritol Tetranitrate SCHEMBL5940085 | 0.74 | ALDH1A1 (0.94) | — | |
| SCHEMBL2220993 | 0.72 | ALDH1A1 (0.62) | — | |
| SCHEMBL7759159 | 0.72 | — | — |
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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1023059-B1 | PHARMACEUTICAL PREPARATIONS | ALPHARMA ISIS GMBH & CO KG (DE) | 2005-12-21 | — | — | EP | claimed |
| EP-1355649-A2 | PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO 4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES | MERCK PATENT GmbH (DE) | 2003-10-29 | — | — | EP | claimed |
| WO-2002060449-A2 | PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO[4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES | MERCK PATENT GMBH (DE) | 2002-08-08 | — | — | WO | claimed |
| EP-1173214-A2 | MEDICINAL SUBSTANCE UTILIZATION FOR PREVENTING NITRATE TOLERANCE | Alpharma-Isis GmbH & Co. KG (DE) | 2002-01-23 | — | — | EP | claimed |
| WO-2001028534-A2 | REDUCTION MODERATORS | ALPHARMA-ISIS GMBH & CO. KG (DE) | 2001-04-26 | — | — | WO | claimed |
| EP-1087926-A2 | ANALYTIC SUBSTRATES AND ANTIOXIDATIVE AGENTS | Alpharma-Isis GmbH & Co. KG (DE) | 2001-04-04 | — | — | EP | claimed |
| WO-2000067731-A2 | MEDICINAL SUBSTANCE UTILIZATION FOR PREVENTING NITRATE TOLERANCE | ALPHARMA-ISIS GMBH & CO.KG (DE) | 2000-11-16 | — | — | WO | claimed |
| EP-1023059-A2 | PHARMACEUTICAL PREPARATIONS | ISIS PHARMA GmbH (DE) | 2000-08-02 | — | — | EP | claimed |
| WO-1999067430-A2 | ANALYTIC SUBSTRATES AND ANTIOXIDATIVE AGENTS | ALPHARMA-ISIS GMBH & CO. KG (DE) | 1999-12-29 | — | — | WO | claimed |
| WO-1999018930-A2 | PHARMACEUTICAL PREPARATIONS | ISIS PHARMA GMBH (DE) | 1999-04-22 | — | — | WO | claimed |
| US-4118414-A | PROPELLANTS | EXXON RESEARCH & ENGINEERING CO. (US) | 1978-10-03 | — | — | US | claimed |
| US-20230201132-A1 | MONO- AND BIS-NITROSYLATED PROPANEDIOLS FOR THERAPEUTIC USE | ATTGENO AB (SE) | 2023-06-29 | — | — | US | disclosed |
| EP-4157234-A1 | MONO- AND BIS-NITROSYLATED PROPANEDIOLS FOR THERAPEUTIC USE | Attgeno AB (SE) | 2023-04-05 | — | — | EP | disclosed |
| US-20220002223-A1 | PROCESSES FOR PREPARING NITROSYLATED PROPANEDIOLS, COMPOSITIONS COMPRISING THE SAME, AND MEDICAL USES THEREOF | ATTGENO AB (SE) | 2022-01-06 | — | — | US | disclosed |
| WO-2021239892-A1 | MONO- AND BIS-NITROSYLATED PROPANEDIOLS FOR THERAPEUTIC USE | ATTGENO AB (SE) | 2021-12-02 | — | — | WO | disclosed |
| WO-1998015521-A1 | NEW PENTAERYTHRITOL DERIVATIVES, THEIR PRODUCTION AND USE AND INTERMEDIATES FOR THEIR SYNTHESIS | ISIS PHARMA GMBH (DE) | 1998-04-16 | — | — | WO | disclosed |
| EP-0752858-A1 | PHARMACEUTICAL PREPARATIONS AND MEDICAMENTS FOR THE PREVENTION AND TREATMENT OF ENDOTHELIAL DYSFUNCTION | ISIS PHARMA GMBH (DE) | 1997-01-15 | — | — | EP | disclosed |
| WO-1995026725-A1 | PHARMACEUTICAL PREPARATIONS AND MEDICAMENTS FOR THE PREVENTION AND TREATMENT OF ENDOTHELIAL DYSFUNCTION | ISIS PHARMA GMBH (DE) | 1995-10-12 | — | — | WO | disclosed |
| US-4118414-A | PROPELLANTS | EXXON RESEARCH & ENGINEERING CO. (US) | 1978-10-03 | — | — | US | disclosed |
| US-4118414-A | PROPELLANTS | EXXON RESEARCH & ENGINEERING CO. (US) | 1978-10-03 | — | — | US | disclosed |