⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14660110 | 0.82 | — | — | |
| SCHEMBL5642292 | 0.82 | — | — | |
| SCHEMBL175436 | 0.81 | — | — | |
| SCHEMBL28753856 | 0.79 | — | — | |
| Ethylene Glycol SCHEMBL6422175 | 0.79 | ALDH1A1 (0.49) | — | |
| SCHEMBL10885990 | 0.78 | — | — | |
| SCHEMBL7956949 | 0.77 | — | — | |
| SCHEMBL15942168 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL571231 | 0.76 | — | — | |
| SCHEMBL4657208 | 0.76 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| EP-1341766-B1 | IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | HOFFMANN LA ROCHE (CH) | 2005-10-26 | — | — | EP | disclosed |
| US-20040192752-A1 | Anti-HIV pyrazole derivatives | DYMOCK BRIAN WILLIAM (GB) | 2004-09-30 | — | — | US | disclosed |
| US-6699887-B2 | ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PYRRAZOLE SULFIDE OR ETHER COMPOUND TO TREAT THE HUMAN IMMUNODEFICIENCY VIRUS INFECTION | HOFFMANN-LA ROCHE INC. | 2004-03-02 | — | — | US | disclosed |
| EP-1341766-A1 | IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-10 | — | — | EP | disclosed |
| EP-1326843-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. Hoffmann-La Roche AG (CH) | 2003-07-16 | — | — | EP | disclosed |
| US-6518293-B2 | Inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. | HOFFMANN-LA ROCHE INC. | 2003-02-11 | — | — | US | disclosed |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2003-01-23 | — | — | US | disclosed |
| US-20020107272-A1 | Anti-HIV imidazolone derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-08 | — | — | US | disclosed |
| WO-2002042279-A1 | IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-05-30 | — | — | WO | disclosed |
| WO-2002030907-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-04-18 | — | — | WO | disclosed |
| US-5639770-A | SUPEROXIDE INHIBITOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-06-17 | — | — | US | disclosed |
| EP-0600092-A1 | THIAZOLE DERIVATIVE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-08 | — | — | EP | disclosed |