⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4333584 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL15037914 | 0.77 | TSHR (0.68) | — | |
| SCHEMBL12808614 | 0.77 | — | — | |
| SCHEMBL124614 | 0.74 | — | — | |
| SCHEMBL9701218 | 0.73 | ALOX15 (0.37) | — | |
| SCHEMBL12713507 | 0.73 | ALDH1A1 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL27854432 | 0.72 | TSHR (0.68) | — | |
| SCHEMBL19047420 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL43375 | 0.71 | — | — | |
| SCHEMBL17320073 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008051403-A2 | NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |
| WO-2007002557-A1 | NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |