⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6625847 | 0.97 | — | — | |
| SCHEMBL693032 | 0.97 | ALDH1A1 (0.68) | — | |
| SCHEMBL24628 | 0.97 | — | — | |
| Water SCHEMBL10740860 | 0.94 | ALDH1A1 (0.65) | — | |
| SCHEMBL31362107 | 0.94 | — | — | |
| Methane SCHEMBL29266079 | 0.94 | — | — | |
| Methane SCHEMBL16600695 | 0.94 | — | — | |
| SCHEMBL30947435 | 0.94 | — | — | |
| Ethylene SCHEMBL818044 | 0.91 | — | — | |
| SCHEMBL5382365 | 0.86 | ALDH1A1 (0.71) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1874301-A4 | NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO INC (US) | 2009-05-06 | — | — | EP | disclosed |
| US-20090054423-A1 | Niacin receptor agonists, compositions containing such compounds and methods of treatment | MERCK SHARP & DOHME CORP. | 2009-02-26 | — | — | US | disclosed |
| EP-1874301-A1 | NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | Merck & Co., Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006113150-A1 | NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 2006-10-26 | — | — | WO | disclosed |
| EP-0720598-B1 | PHENOXYPHENYL CYCLOPENTENYL HYDROXYUREAS | PFIZER (US) | 1998-10-07 | — | — | EP | disclosed |
| US-5792882-A | Phenoxyphenyl cyclopentenyl hydroxyureas | PFIZER INC. (US) | 1998-08-11 | — | — | US | disclosed |
| EP-0720598-A1 | PHENOXYPHENYL CYCLOPENTENYL HYDROXYUREAS | PFIZER INC. (US) | 1996-07-10 | — | — | EP | disclosed |
| WO-1995005360-A1 | PHENOXYPHENYL CYCLOPENTENYL HYDROXYUREAS | PFIZER INC. (US) | 1995-02-23 | — | — | WO | disclosed |