⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3501864 | 0.82 | — | — | |
| SCHEMBL15556589 | 0.76 | — | — | |
| SCHEMBL152067 | 0.74 | — | — | |
| Bromide SCHEMBL27823644 | 0.73 | — | — | |
| Iodide SCHEMBL632156 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27681884 | 0.73 | — | — | |
| SCHEMBL6247431 | 0.72 | SMN1; SMN2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7320262 | 0.72 | — | — | |
| SCHEMBL82665 | 0.71 | — | — | |
| Potassium Ion SCHEMBL28189184 | 0.71 | NOS3 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8193228-B2 | Substituted imidazole as bombesin receptor subtype-3 modulators | MERCK SHARP & DOHME CORP. (US) | 2012-06-05 | — | — | US | disclosed |
| US-20100022598-A1 | Substituted inmidazoles as bombesin receptor subtype-3 modulators | MERCK SHARP & DOHME LLC | 2010-01-28 | — | — | US | disclosed |
| EP-2091937-A2 | SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | Merck & Co., Inc. (US) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008051406-A2 | SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |