⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15984784 | 1.00 | — | — | |
| SCHEMBL2610292 | 1.00 | — | — | |
| SCHEMBL12993494 | 1.00 | — | — | |
| SCHEMBL14607766 | 1.00 | — | — | |
| SCHEMBL19739056 | 1.00 | — | — | |
| SCHEMBL17021841 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL17980412 | 0.96 | — | — | |
| SCHEMBL18558157 | 0.84 | THRB (0.35) | — | |
| SCHEMBL4149556 | 0.82 | — | — | |
| SCHEMBL21287450 | 0.82 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170362191-A1 | Substituted Cyclohexylamine Compounds | Epizyme, Inc. (US) | 2017-12-21 | — | — | US | disclosed |
| EP-1071645-A4 | PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2003-04-02 | — | — | EP | disclosed |
| EP-1071645-A1 | PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-01-31 | — | — | EP | disclosed |
| US-6172118-B1 | Compounds | SMITHKLINE BEECHAM CORPORATION | 2001-01-09 | — | — | US | disclosed |
| WO-1999052847-A1 | PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-10-21 | — | — | WO | disclosed |