⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL623468 | 0.79 | — | — | |
| SCHEMBL252279 | 0.67 | — | — | |
| SCHEMBL216883 | 0.67 | SLC6A2 (0.39) | — | |
| SCHEMBL9181813 | 0.66 | — | — | |
| SCHEMBL9628789 | 0.64 | — | — | |
| SCHEMBL11631029 | 0.63 | PRKD3 (0.36) | — | |
| SCHEMBL11630861 | 0.63 | PRKD3 (0.36) | — | |
| SCHEMBL29857 | 0.63 | — | — | |
| SCHEMBL9054528 | 0.63 | — | — | |
| Domiodol SCHEMBL19352 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0680324-A4 | METHOD AND COMPOSITION EMPLOYING (2R,4S) ITRACONAZOLE. | SEPRACOR INC (US) | 1996-04-10 | — | — | EP | disclosed |
| US-5474997-A | Administering (2R,4S)itraconazole, free of (2S,4R) stereoisomer, to reduce side effects | SEPRACOR, INC. (US) | 1995-12-12 | — | — | US | disclosed |
| EP-0680324-A1 | METHOD AND COMPOSITION EMPLOYING (2R,4S) ITRACONAZOLE | SEPRACOR, INC. (US) | 1995-11-08 | — | — | EP | disclosed |
| WO-1994016701-A1 | METHODS AND COMPOSITIONS OF (2S,4R) ITRACONAZOLE FOR TREATING FUNGAL YEAST AND DERMATOPHYTE INFECTIONS | SEPRACOR, INC. (US) | 1994-08-04 | — | — | WO | disclosed |
| WO-1994016700-A1 | METHOD AND COMPOSITION EMPLOYING (2R,4S) ITRACONAZOLE | SEPRACOR, INC. (US) | 1994-08-04 | — | — | WO | disclosed |