⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3477438 | 0.67 | — | — | |
| SCHEMBL2356360 | 0.60 | — | — | |
| SCHEMBL19348395 | 0.59 | — | — | |
| SCHEMBL4204676 | 0.56 | DDB1 (0.53) | — | |
| SCHEMBL28950561 | 0.55 | HRH4 (0.32) | — | |
| SCHEMBL29187917 | 0.55 | HRH4 (0.32) | — | |
| SCHEMBL23152365 | 0.55 | — | — | |
| SCHEMBL10412727 | 0.54 | — | — | |
| SCHEMBL16397715 | 0.51 | — | — | |
| SCHEMBL10723659 | 0.51 | MAPT (0.34) | — |
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-2536721-A1 | PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS | GenKyoTex SA (CH) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011101805-A1 | PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS | GENKYOTEX SA (CH) | 2011-08-25 | — | — | WO | disclosed |