⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15598261 | 0.79 | — | — | |
| SCHEMBL26343139 | 0.73 | NOS2 (0.31) | — | |
| SCHEMBL13625317 | 0.71 | LIMK1 (0.32) | — | |
| SCHEMBL24258334 | 0.68 | — | — | |
| SCHEMBL17168944 | 0.68 | PDK2 (0.33) | — | |
| SCHEMBL19978863 | 0.68 | PDPK1 (0.33) | — | |
| SCHEMBL18526498 | 0.66 | — | — | |
| SCHEMBL29111638 | 0.64 | HRH3 (0.34) | — | |
| SCHEMBL14367975 | 0.62 | KDM5B (0.31) | — | |
| SCHEMBL18239350 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2664619-B1 | Purine derivatives as tools for screening anti-Alzheimer compounds | MANROS THERAPEUTICS (FR) | 2017-07-12 | — | — | EP | disclosed |