⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL887783 | 0.76 | — | — | |
| SCHEMBL27995246 | 0.70 | — | — | |
| SCHEMBL7928079 | 0.66 | TSHR (0.45) | — | |
| SCHEMBL15096373 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL9091121 | 0.62 | ALDH1A1 (0.34) | — | |
| SCHEMBL20536810 | 0.62 | — | — | |
| SCHEMBL8390053 | 0.62 | — | — | |
| SCHEMBL16299729 | 0.62 | TSHR (0.30) | — | |
| SCHEMBL14864451 | 0.62 | TSHR (0.31) | — | |
| SCHEMBL15443748 | 0.59 | TSHR (0.33) | — |
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-102482298-A | Novel -styryl-alkynyl substituted silicon compounds and method for obtaining -styryl-alkynyl substituted silicon compounds | UNIV ADAM MICKIEWICZ | 2012-05-30 | — | — | CN | disclosed |