⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4432693 | 0.85 | — | — | |
| SCHEMBL4441595 | 0.68 | CYP2C19 (0.32) | — | |
| SCHEMBL4438732 | 0.63 | — | — | |
| SCHEMBL4441504 | 0.62 | CYP3A4 (0.31) | — | |
| SCHEMBL4436006 | 0.58 | CYP2C19 (0.54) | — | |
| SCHEMBL23908082 | 0.56 | — | — | |
| SCHEMBL26320547 | 0.55 | GAA (0.36) | — | |
| SCHEMBL7525914 | 0.55 | — | — | |
| SCHEMBL33498 | 0.55 | — | — | |
| SCHEMBL7519504 | 0.55 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2124944-A1 | PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS | Ranbaxy Laboratories Limited (IN) | 2009-12-02 | — | — | EP | claimed |
| WO-2008111010-A1 | PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2008-09-18 | — | — | WO | claimed |