⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2352432 | 0.90 | — | — | |
| SCHEMBL29057595 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL18759723 | 0.79 | ESR1 (0.31) | — | |
| SCHEMBL6271935 | 0.74 | ESR1 (0.33) | — | |
| SCHEMBL7649037 | 0.73 | — | — | |
| SCHEMBL7765654 | 0.71 | HSD11B1 (0.42) | — | |
| SCHEMBL1694301 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL1657410 | 0.70 | — | — | |
| SCHEMBL3878804 | 0.69 | ESR1 (0.30) | — | |
| SCHEMBL890423 | 0.69 | ESR1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120043577-A1 | CURABLE SILICONE RESIN COMPOSITION AND LIGHT-EMITTING DIODE DEVICE USING THE SAME | SHIN-ETSU CEMICAL CO., LTD. (JP) | 2012-02-23 | — | — | US | disclosed |