⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1404 | 0.96 | — | — | |
| SCHEMBL50101 | 0.96 | TSHR (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL2687749 | 0.92 | — | — | |
| Iodide SCHEMBL5390326 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL27800244 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL27516873 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL10544155 | 0.88 | TSHR (0.36) | — | |
| Carbon Tetrachloride SCHEMBL28218427 | 0.88 | TSHR (0.36) | — | |
| Methylene Chloride SCHEMBL8605806 | 0.85 | TSHR (0.33) | — | |
| Magnesium Chloride Anhydrous SCHEMBL27516872 | 0.85 | ALDH1A1 (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1801106-A2 | New spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors | Warner-Lambert Company LLC (US) | 2007-06-27 | — | — | EP | disclosed |
| US-7214676-B2 | Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors | WARNER-LAMBERT COMPANY LLC (US) | 2007-05-08 | — | — | US | disclosed |
| US-20070049558-A1 | New Spirotricyclic Derivatives and Their Use as Phosphodiesterase-7 Inhibitors | PFIZER INC. | 2007-03-01 | — | — | US | disclosed |
| US-20040214843-A1 | Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors | PFIZER INC | 2004-10-28 | — | — | US | disclosed |
| EP-1373224-A1 | NEW SPIROTRICYCLIC DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS | Warner-Lambert Company LLC (US) | 2004-01-02 | — | — | EP | disclosed |
| US-20020198198-A1 | Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors | WARNER-LAMBERT COMPANY LLC | 2002-12-26 | — | — | US | disclosed |
| WO-2002074754-A1 | NEW SPIROTRICYCLIC DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2002-09-26 | — | — | WO | disclosed |