⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19543777 | 0.88 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL25658677 | 0.87 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL15984358 | 0.77 | — | — | |
| SCHEMBL20243636 | 0.75 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL21100722 | 0.74 | OPRM1 (0.31) | — | |
| SCHEMBL9507835 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL24288 | 0.72 | OPRM1 (0.32) | — | |
| SCHEMBL31410770 | 0.72 | OPRM1 (0.32) | — | |
| SCHEMBL16104263 | 0.71 | — | — | |
| SCHEMBL23449016 | 0.71 | — | — |
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-2781550-B1 | DIRECTED SELF-ASSEMBLING COMPOSITION FOR PATTERN FORMATION, AND PATTERN-FORMING METHOD | JSR CORP (JP) | 2019-10-16 | — | — | EP | disclosed |