⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5212149 | 0.63 | — | — | |
| SCHEMBL451333 | 0.60 | — | — | |
| SCHEMBL5392227 | 0.56 | — | — | |
| SCHEMBL2043038 | 0.54 | — | — | |
| SCHEMBL2041321 | 0.51 | — | — | |
| SCHEMBL1049817 | 0.49 | — | — | |
| SCHEMBL7068841 | 0.47 | — | — | |
| SCHEMBL676625 | 0.45 | — | — | |
| 1,3,5-Trimethoxybenzene SCHEMBL28493 | 0.41 | ALDH1A1 (1.00) | — | |
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.41 | CA1 (1.00) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1401826-B1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| CN-1249052-C | Pyrazole derivatives as HIV reverse transcriptase inhibitors | HOFFMANN LA ROCHE (CH) | 2006-04-05 | — | — | CN | disclosed |
| CN-1527829-A | Pyrazole derivatives as HIV reverse transcriptase inhibitors | - | 2004-09-08 | — | — | CN | disclosed |
| EP-1417202-A2 | AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2004-05-12 | — | — | EP | disclosed |
| EP-1401826-A1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-03-31 | — | — | EP | disclosed |
| US-20030069276-A1 | Amino piperidine derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 2003-04-10 | — | — | US | disclosed |
| US-6538015-B1 | Process for their manufacture, pharmaceutical compositions and the use of such compounds in medicine. In particular, the compounds of formula I are inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is | HOFFMANN-LA ROCHE INC. | 2003-03-25 | — | — | US | disclosed |
| WO-2002100853-A1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002079186-A2 | AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-10 | — | — | WO | disclosed |
| EP-0934940-A1 | CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF | Japan Tobacco Inc. (JP) | 1999-08-11 | — | — | EP | disclosed |
| US-5807850-A | Therapeutic agent for osteoporosis and triazepine compound | JAPAN TOBACCO, INC. (JP) | 1998-09-15 | — | — | US | disclosed |
| EP-0792880-A1 | OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND | Japan Tobacco Inc. (JP) | 1997-09-03 | — | — | EP | disclosed |