⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3114000 | 0.77 | — | — | |
| Water SCHEMBL15331255 | 0.75 | LMNA (0.58) | — | |
| SCHEMBL9181061 | 0.65 | ALDH1A1 (0.46) | — | |
| SCHEMBL10752092 | 0.64 | LMNA (0.44) | — | |
| Oteracil SCHEMBL464773 | 0.63 | LMNA (1.00) | — | |
| Oteracil SCHEMBL29572271 | 0.62 | LMNA (0.95) | — | |
| SCHEMBL20577753 | 0.61 | CYP2C19 (0.44) | — | |
| SCHEMBL17866360 | 0.60 | — | — | |
| SCHEMBL17501768 | 0.60 | — | — | |
| SCHEMBL14770091 | 0.60 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2164835-B1 | PROCESS FOR PREPARING TRIAZOLONES | HOFFMANN LA ROCHE (CH) | 2012-12-12 | — | — | EP | claimed |
| EP-2164835-A2 | PROCESS FOR PREPARING TRIAZOLONES | F. Hoffmann-Roche AG (CH) | 2010-03-24 | — | — | EP | claimed |
| US-20090012304-A1 | preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes | ROCHE PALO ALTO LLC | 2009-01-08 | — | — | US | claimed |
| WO-2008145563-A2 | PROCESS FOR PREPARING TRIAZOLONES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-04 | — | — | WO | claimed |
| EP-2164835-B1 | PROCESS FOR PREPARING TRIAZOLONES | HOFFMANN LA ROCHE (CH) | 2012-12-12 | — | — | EP | disclosed |
| US-7893276-B2 | Process for preparing triazolones | ROCHE PALO ALTO LLC (US) | 2011-02-22 | — | — | US | disclosed |
| US-20100280256-A1 | PROCESS FOR PREPARING TRIAZOLONES | LEE GARY M | 2010-11-04 | — | — | US | disclosed |
| US-7745634-B2 | Process for preparing triazolones | ROCHE PALO ALTO LLC (US) | 2010-06-29 | — | — | US | disclosed |
| EP-2164835-A2 | PROCESS FOR PREPARING TRIAZOLONES | F. Hoffmann-Roche AG (CH) | 2010-03-24 | — | — | EP | disclosed |
| US-20090012304-A1 | preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes | ROCHE PALO ALTO LLC | 2009-01-08 | — | — | US | disclosed |
| WO-2008145563-A2 | PROCESS FOR PREPARING TRIAZOLONES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-04 | — | — | WO | disclosed |