⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7243361 | 0.86 | — | — | |
| Potassium Ion SCHEMBL4129682 | 0.86 | — | — | |
| SCHEMBL3180572 | 0.86 | ALDH1A1 (0.33) | — | |
| Lithium Ion SCHEMBL387766 | 0.86 | — | — | |
| Lithium Ion SCHEMBL30157371 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL3710809 | 0.86 | — | — | |
| Lithium Ion SCHEMBL11412267 | 0.80 | — | — | |
| Lithium Ion SCHEMBL8784828 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL10509344 | 0.76 | — | — | |
| Cyclohexane SCHEMBL5973020 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110312977-A1 | PROCESS FOR THE PREPARATION OF VORICONAZOLE | GLENMARK GENERICS LIMITED (IN) | 2011-12-22 | — | — | US | claimed |
| WO-2010095145-A1 | PROCESS FOR THE PREPARATION OF VORICONAZOLE | GLENMARK GENERICS LIMITED (IN) | 2010-08-26 | — | — | WO | claimed |
| EP-1899327-A1 | IMPROVED PROCESS FOR THE PREPARATION OF 2R, 3S-2-(2,4-DIFLUOROPHENYL)-3-(5-FLUOROPYRIMIDIN-4-YL)-1-(1H-1,2,4-TRIAZOL-1-YL) BUTAN-2-OL (VORICONAZOLE) | MSN Laboratories Limited (IN) | 2008-03-19 | — | — | EP | claimed |
| WO-2007013096-A1 | IMPROVED PROCESS FOR THE PREPARATION OF 2R, 3S-2-(2,4-DIFLUOROPHENYL)-3-(5-FLUOROPYRIMIDIN-4-YL)-1-(1H-1,2,4-TRIAZOL-1-YL) BUTAN-2-OL (VORICONAZOLE) | MSN LABORATORIES LIMITED (IN) | 2007-02-01 | — | — | WO | claimed |
| US-20110312977-A1 | PROCESS FOR THE PREPARATION OF VORICONAZOLE | GLENMARK GENERICS LIMITED (IN) | 2011-12-22 | — | — | US | disclosed |
| WO-2010095145-A1 | PROCESS FOR THE PREPARATION OF VORICONAZOLE | GLENMARK GENERICS LIMITED (IN) | 2010-08-26 | — | — | WO | disclosed |