⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL474807 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL21049673 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL706367 | 0.64 | — | — | |
| SCHEMBL5266141 | 0.62 | — | — | |
| SCHEMBL6380568 | 0.61 | — | — | |
| SCHEMBL1394215 | 0.61 | — | — | |
| SCHEMBL5049758 | 0.61 | TSHR (0.31) | — | |
| SCHEMBL4864008 | 0.61 | — | — | |
| SCHEMBL1900614 | 0.61 | — | — | |
| SCHEMBL7594074 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019202796-A1 | POLYMER HAVING REACTIVE SILICON-CONTAINING GROUP AND PRODUCTION METHOD THEREFOR | 信越化学工業株式会社 | 2019-10-24 | — | — | WO | disclosed |