⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL866329 | 0.81 | — | — | |
| SCHEMBL4146828 | 0.78 | — | — | |
| SCHEMBL506280 | 0.73 | — | — | |
| SCHEMBL11310226 | 0.69 | — | — | |
| SCHEMBL9540851 | 0.69 | — | — | |
| SCHEMBL14686113 | 0.69 | THRB (0.38) | — | |
| SCHEMBL20825 | 0.67 | — | — | |
| SCHEMBL7888601 | 0.67 | THRB (0.50) | — | |
| SCHEMBL14844068 | 0.67 | — | — | |
| SCHEMBL1157679 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1220833-A4 | PROCESS AND INTERMEDIATES FOR MAKING 4-CYANOSUBSTITUTED CYCLOHEXANOIC ACIDS | SMITHKLINE BEECHAM CORP (US) | 2004-12-22 | — | — | EP | disclosed |
| US-6624323-B1 | Reduction of ketones in the presence of transition metal catalysts to form phosphodiesterase inhibitors such as ariflo\", used for prophylaxis chronic obstructive pulmonary disease and asthma | SMITHKLINE BEECHAM CORPORATION | 2003-09-23 | — | — | US | disclosed |
| EP-1220833-A1 | PROCESS AND INTERMEDIATES FOR MAKING 4-CYANOSUBSTITUTED CYCLOHEXANOIC ACIDS | SmithKline Beecham Corporation (US) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001019785-A1 | PROCESS AND INTERMEDIATES FOR MAKING 4-CYANOSUBSTITUTED CYCLOHEXANOIC ACIDS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-03-22 | — | — | WO | disclosed |