⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL626405 | 0.70 | GAA (0.34) | — | |
| SCHEMBL23836848 | 0.68 | HPGD (0.41) | — | |
| SCHEMBL11495455 | 0.67 | — | — | |
| SCHEMBL2542764 | 0.66 | — | — | |
| SCHEMBL3433172 | 0.66 | — | — | |
| SCHEMBL10429633 | 0.61 | TP53 (0.43) | — | |
| SCHEMBL11437298 | 0.58 | HCAR2 (0.35) | — | |
| SCHEMBL797991 | 0.58 | XDH (0.40) | — | |
| SCHEMBL7761441 | 0.58 | PTGDR (0.33) | — | |
| SCHEMBL11458793 | 0.57 | DCTPP1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012019954-A1 | PYRAZOLOPYRIDINE COMPOUNDS AS PDE10A INHIBITORS | EVOTEC (UK) LTD. (GB) | 2012-02-16 | — | — | WO | disclosed |