⚠ 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 | |
|---|---|---|---|---|
| Isophthalic Dicarboxaldehyde SCHEMBL20477528 | 0.81 | ALDH1A1 (0.61) | — | |
| Isophthalic Dicarboxaldehyde SCHEMBL180566 | 0.81 | ALDH1A1 (0.67) | — | |
| Isophthalic Dicarboxaldehyde SCHEMBL4952540 | 0.81 | ALDH1A1 (0.67) | — | |
| Isophthalic Dicarboxaldehyde SCHEMBL28611144 | 0.78 | ALDH1A1 (0.67) | — | |
| SCHEMBL316960 | 0.77 | — | — | |
| Isophthalic Dicarboxaldehyde SCHEMBL4304012 | 0.76 | ALDH1A1 (0.63) | — | |
| SCHEMBL22438758 | 0.75 | — | — | |
| SCHEMBL7220206 | 0.75 | — | — | |
| SCHEMBL149900 | 0.75 | ALDH1A1 (0.54) | — | |
| SCHEMBL29937739 | 0.75 | ALDH1A1 (0.54) | — |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | claimed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | claimed |
| EP-0858999-A1 | Substituted cyclic carbonyls and derivatives thereof useful as retroviral protease inhibitors | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-08-19 | — | — | EP | claimed |
| EP-0607334-B1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS | DU PONT MERCK PHARMA (US) | 1997-07-30 | — | — | EP | claimed |
| US-5616578-A | Method of treating human immunodeficiency virus infection using a cyclic protease inhibitor in combination with a reverse transcriptase inhibitor | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-04-01 | — | — | US | claimed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | claimed |
| US-5559110-A | HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-24 | — | — | US | claimed |
| EP-0686151-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-13 | — | — | EP | claimed |
| WO-1994019329-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-01 | — | — | WO | claimed |
| EP-0607334-A1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS. | DU PONT MERCK PHARMA (US) | 1994-07-27 | — | — | EP | claimed |
| WO-1993007128-A1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-04-15 | — | — | WO | claimed |
| US-4389410-A | Esters of monic acid A useful as antibacterial and antimycoplasmal agents | BEECHAM GROUP LIMITED (GB) | 1983-06-21 | — | — | US | claimed |
| EP-0045150-A1 | Antibacterial compounds, processes for their preparation and composititions containing them | BEECHAM GROUP PLC (GB) | 1982-02-03 | — | — | EP | claimed |
| CN-108085021-B | Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element and reaction product | JSR株式会社 | 2021-06-08 | — | — | CN | disclosed |
| CN-110357790-A | Compound and its purposes in synthesis Bu Waxitan bulk pharmaceutical chemicals | 福建海西新药创制有限公司 | 2019-10-22 | — | — | CN | disclosed |
| CN-109475568-A | Oligonucleotides conjugated with GLP-1 receptor ligand moieties and uses thereof | IONIS制药公司 | 2019-03-15 | — | — | CN | disclosed |
| WO-1994019329-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-01 | — | — | WO | disclosed |
| EP-0607334-A1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS. | DU PONT MERCK PHARMA (US) | 1994-07-27 | — | — | EP | disclosed |
| WO-1993007128-A1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-04-15 | — | — | WO | disclosed |
| EP-0146228-A1 | Substituted 2-mercapto-imidazoles and their preparation and use | Farmos-Yhtyma Oy (FI) | 1985-06-26 | — | — | EP | disclosed |