⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20656780 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL9786112 | 0.72 | AR (0.33) | — | |
| SCHEMBL237721 | 0.72 | — | — | |
| SCHEMBL3280952 | 0.70 | — | — | |
| SCHEMBL28501361 | 0.69 | — | — | |
| SCHEMBL1381436 | 0.67 | — | — | |
| SCHEMBL8980433 | 0.67 | — | — | |
| SCHEMBL10306782 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL8648090 | 0.65 | — | — | |
| SCHEMBL10937538 | 0.65 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108292692-B | Method for manufacturing optical semiconductor device, thermosetting resin composition for the same, and optical semiconductor obtained therefrom | 衡所华威电子有限公司 | 2021-01-12 | — | — | CN | disclosed |