⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6131458 | 0.96 | — | — | |
| SCHEMBL108676 | 0.96 | — | — | |
| Fluoride SCHEMBL5915263 | 0.93 | — | — | |
| SCHEMBL10607722 | 0.93 | — | — | |
| SCHEMBL2541723 | 0.84 | CA1 (0.33) | — | |
| SCHEMBL13883873 | 0.81 | FFAR3 (0.31) | — | |
| SCHEMBL714317 | 0.78 | MEN1 (0.44) | — | |
| SCHEMBL7654581 | 0.73 | — | — | |
| SCHEMBL3336839 | 0.72 | FFAR3 (0.38) | — | |
| SCHEMBL5459303 | 0.69 | FFAR3 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1923434-B1 | Coating Composition | SHINETSU CHEMICAL CO (JP) | 2011-02-02 | — | — | EP | disclosed |