⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13089318 | 0.78 | — | — | |
| SCHEMBL13089393 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL13089285 | 0.73 | — | — | |
| SCHEMBL13089317 | 0.73 | — | — | |
| SCHEMBL13089266 | 0.69 | — | — | |
| SCHEMBL13089403 | 0.68 | GAA (0.30) | — | |
| SCHEMBL15661904 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL13089411 | 0.67 | — | — | |
| SCHEMBL705827 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL703725 | 0.67 | ALDH1A1 (0.35) | — |
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-20100261925-A1 | METHOD FOR PRODUCING SILICON COMPOUND | JSR CORPORATION (JP) | 2010-10-14 | — | — | US | disclosed |