⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19736753 | 0.72 | — | — | |
| SCHEMBL27936591 | 0.71 | — | — | |
| SCHEMBL15739022 | 0.69 | — | — | |
| SCHEMBL627685 | 0.69 | — | — | |
| SCHEMBL27436195 | 0.69 | — | — | |
| SCHEMBL7054552 | 0.69 | — | — | |
| SCHEMBL11830557 | 0.67 | — | — | |
| SCHEMBL27553838 | 0.67 | — | — | |
| SCHEMBL29662972 | 0.67 | — | — | |
| SCHEMBL7108810 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2007396-A1 | ANTIFUNGAL AGENTS | Merck and Co., Inc. (US) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007127012-A1 | ANTIFUNGAL AGENTS | MERCK & CO., INC. (US) | 2007-11-08 | — | — | WO | disclosed |