⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL726149 | 0.71 | — | — | |
| SCHEMBL2491216 | 0.69 | — | — | |
| SCHEMBL21040607 | 0.69 | — | — | |
| SCHEMBL5412810 | 0.69 | — | — | |
| SCHEMBL1470818 | 0.69 | — | — | |
| SCHEMBL15402940 | 0.69 | — | — | |
| SCHEMBL15403382 | 0.69 | — | — | |
| SCHEMBL10836375 | 0.67 | — | — | |
| SCHEMBL2642045 | 0.67 | — | — | |
| SCHEMBL11602545 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5814324-A | OIL IN WATER EMULSION COMPRISING ANTIFUNGAL TRIAZOLE COMPOUND DISPERSED IN WATER WITH FATTY ACID TRIGLYCERIDE, LECITHIN EMULSIFIER | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-29 | — | — | US | disclosed |
| EP-0746318-A1 | INJECTABLE EMULSIONS CONTAINING ANTIFUNGAL TRIAZOLE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995022973-A1 | INJECTABLE EMULSIONS CONTAINING ANTIFUNGAL TRIAZOLE DERIVATIVES | TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) | 1995-08-31 | — | — | WO | disclosed |