⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5801827 | 0.76 | — | — | |
| SCHEMBL5801769 | 0.76 | — | — | |
| SCHEMBL1339814 | 0.72 | — | — | |
| SCHEMBL5798616 | 0.71 | ESR1 (0.37) | — | |
| SCHEMBL5799245 | 0.71 | ESR1 (0.37) | — | |
| SCHEMBL6183415 | 0.63 | DPP4 (0.30) | — | |
| SCHEMBL1339050 | 0.60 | PTGS1 (0.30) | — | |
| SCHEMBL6182032 | 0.60 | — | — | |
| SCHEMBL5801838 | 0.59 | ALDH1A1 (0.33) | — | |
| SCHEMBL5798882 | 0.55 | DRD2 (0.35) | — |
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-1507767-A1 | 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS | Allergan, Inc. (US) | 2005-02-23 | — | — | EP | disclosed |
| WO-2003099795-A1 | 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS | ALLERGAN, INC. (US) | 2003-12-04 | — | — | WO | disclosed |