⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15228369 | 0.72 | — | — | |
| SCHEMBL4866856 | 0.68 | — | — | |
| Ethane SCHEMBL28805784 | 0.68 | — | — | |
| SCHEMBL4781154 | 0.50 | — | — | |
| SCHEMBL5746799 | 0.50 | — | — | |
| Water SCHEMBL16553164 | 0.49 | TSHR (0.57) | — | |
| SCHEMBL11809662 | 0.48 | — | — | |
| Phloroglucinol SCHEMBL1913949 | 0.46 | BACE1 (0.89) | — | |
| SCHEMBL5074259 | 0.46 | — | — | |
| Phloroglucinol SCHEMBL5495237 | 0.46 | BACE1 (0.89) | — |
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-2341776-A1 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES | Institute for OneWorld Health (US) | 2011-07-13 | — | — | EP | claimed |
| EP-2341776-A1 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES | Institute for OneWorld Health (US) | 2011-07-13 | — | — | EP | disclosed |