⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12273897 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL24499 | 0.79 | — | — | |
| SCHEMBL18403873 | 0.77 | — | — | |
| Methane SCHEMBL25208404 | 0.77 | ALDH1A1 (0.41) | — | |
| Hydrogen Peroxide SCHEMBL6657321 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL11576971 | 0.73 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL2494129 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL83061 | 0.72 | GAA (0.41) | — | |
| Benzene SCHEMBL21084039 | 0.72 | ALDH1A1 (0.54) | — | |
| Ethaneperoxoic Acid SCHEMBL8898688 | 0.72 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000034288-A1 | PROCESS FOR REMOVAL OF CYANIDE FROM REACTIONS PRODUCING 1,3 DIONES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-06-15 | — | — | WO | claimed |
| CN-101168529-B | Fipronil, ethiprole and synthesizing method for derivative thereof | UNIV WENZHOU | 2011-03-23 | — | — | CN | disclosed |
| US-20100016285-A1 | HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-2128157-A1 | HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2009-12-02 | — | — | EP | disclosed |
| CN-101168529-A | Fipronil, ethiprole and synthesizing method for derivative thereof | UNIV WENZHOU (CN) | 2008-04-30 | — | — | CN | disclosed |
| EP-0799056-B1 | USE OF A NK-1 RECEPTOR ANTAGONIST AND AN OPIOID ANALGESIC | MERCK SHARP & DOHME (GB) | 2002-03-27 | — | — | EP | disclosed |
| CN-1075812-C | Prodrugs of morpholine tachykinin receptor antagonists | MERCK & CO INC (US) | 2001-12-05 | — | — | CN | disclosed |
| US-6180624-B1 | BY ADMINISTERING A COMBINATION OF A MORPHOLINE OR THIOMORPHOLINE TACHYKININ ANTAGONIST AND AN OPIOID ANALGESIC | MERCK SHARP & DOHME LIMITED (GB) | 2001-01-30 | — | — | US | disclosed |
| US-6140324-A | ADMINISTERING TACHYKININ ANTAGONIST AND MUSCARINIC ANTAGONIST AND/OR ANTIHISTAMINE, SUCH THAT THEY GIVE EFFECTIVE RELIEF FROM MOTION SICKNESS | MERCK SHARP & DOHME LTD. (GB) | 2000-10-31 | — | — | US | disclosed |
| WO-2000034288-A1 | PROCESS FOR REMOVAL OF CYANIDE FROM REACTIONS PRODUCING 1,3 DIONES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-06-15 | — | — | WO | disclosed |
| WO-1995023798-A1 | PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-09-08 | — | — | WO | disclosed |
| CN-1028475-C | Pyrrole insecticides | RHONE POULENC AGROCHIMIE (FR) | 1995-05-24 | — | — | CN | disclosed |
| CN-1043500-A | PYRROLE INSECTICIDES | RHONE POULENC AGROCHIMIE (FR) | 1990-07-04 | — | — | CN | disclosed |
| EP-0372982-A2 | Pyrrole insecticides | RHONE-POULENC AGROCHIMIE (FR) | 1990-06-13 | — | — | EP | disclosed |
| US-4756989-A | Aluminum or silicon substrate, copolymer resist layer comprising vinyl aromatic, ethylenically unsaturated units | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1988-07-12 | — | — | US | disclosed |
| US-4528332-A | Epoxy compounds, process for the preparation thereof and resist materials comprising thereof | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1985-07-09 | — | — | US | disclosed |
| EP-0012760-B1 | PHARMACEUTICALLY ACTIVE 6,9-THIAPROSTACYCLIN ANALOGS AND DERIVATIVES THEREOF | Research Corporation (US) | 1983-10-19 | — | — | EP | disclosed |
| US-4291166-A | ANTICOAGULANTS | RESEARCH CORPORATION (US) | 1981-09-22 | — | — | US | disclosed |
| EP-0012760-A1 | PHARMACEUTICALLY ACTIVE 6,9-THIAPROSTACYCLIN ANALOGS AND DERIVATIVES THEREOF. | RESEARCH CORP (US) | 1980-07-09 | — | — | EP | disclosed |
| WO-1979000744-A1 | PHARMACEUTICALLY ACTIVE 6,9-THIAPROSTACYCLIN ANALOGS AND DERIVATIVES THEREOF | RESEARCH CORP (US) | 1979-10-04 | — | — | WO | disclosed |