⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13630626 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL13616583 | 0.78 | — | — | |
| SCHEMBL13630451 | 0.75 | — | — | |
| SCHEMBL13630628 | 0.74 | — | — | |
| SCHEMBL13630447 | 0.73 | — | — | |
| SCHEMBL14489061 | 0.72 | — | — | |
| SCHEMBL12121051 | 0.72 | TSHR (0.34) | — | |
| SCHEMBL13630440 | 0.70 | TSHR (0.34) | — | |
| SCHEMBL12121037 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL13616579 | 0.68 | — | — |
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-20090286937-A1 | CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-11-19 | — | — | US | disclosed |