⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12344502 | 0.82 | PAM (0.32) | — | |
| SCHEMBL21077389 | 0.80 | — | — | |
| SCHEMBL13693407 | 0.78 | PRKCA (0.33) | — | |
| SCHEMBL14410327 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL10069151 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL19496142 | 0.78 | — | — | |
| SCHEMBL20925310 | 0.77 | — | — | |
| SCHEMBL26414451 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL12435552 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL284234 | 0.75 | — | — |
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-3492526-A1 | RESIN COMPOSITION AND USE THEREOF | Sumitomo Chemical Company Limited (JP) | 2019-06-05 | — | — | EP | disclosed |