⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6557411 | 0.81 | THRB (0.36) | — | |
| SCHEMBL18544153 | 0.79 | EPHX1 (0.32) | — | |
| SCHEMBL9104668 | 0.76 | — | — | |
| SCHEMBL28105214 | 0.75 | — | — | |
| SCHEMBL28216760 | 0.73 | EPHX1 (0.45) | — | |
| SCHEMBL23673323 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL28764 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL1904684 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL2297080 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL28394811 | 0.70 | — | — |
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-110809739-A | Composition for forming silicon-containing resist underlayer film, soluble in alkaline developer | 日产化学株式会社 | 2020-02-18 | — | — | CN | disclosed |