⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14070599 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL14820668 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL12144208 | 0.74 | ALDH1A1 (0.55) | — | |
| SCHEMBL15976131 | 0.74 | — | — | |
| SCHEMBL14065802 | 0.74 | — | — | |
| SCHEMBL15976136 | 0.74 | — | — | |
| SCHEMBL12191378 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL176426 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL409753 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL20307821 | 0.70 | ALDH1A1 (0.30) | — |
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-2907850-B1 | POLYESTER RESIN COMPOSITION, AND MOLDED ARTICLE COMPRISING SAID RESIN COMPOSITION | KANEKA CORP (JP) | 2018-05-02 | — | — | EP | disclosed |