⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19524324 | 0.77 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL7920712 | 0.70 | CYP1A2 (0.35) | — | |
| SCHEMBL16037582 | 0.65 | GRM1 (0.36) | — | |
| SCHEMBL23354795 | 0.62 | PDK2 (0.34) | — | |
| SCHEMBL7921138 | 0.60 | CYP1A2 (0.35) | — | |
| SCHEMBL7920705 | 0.59 | HDAC1 (0.33) | — | |
| SCHEMBL25669006 | 0.57 | — | — | |
| SCHEMBL14970140 | 0.57 | CYP1A2 (0.53) | — | |
| SCHEMBL21893500 | 0.57 | ALOX5AP (0.38) | — | |
| SCHEMBL2736738 | 0.56 | CYP1A2 (0.57) | — |
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-2970267-B3 | P2X7 MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-30 | — | — | EP | disclosed |