⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13011235 | 0.91 | — | — | |
| SCHEMBL12977740 | 0.84 | — | — | |
| SCHEMBL13011969 | 0.81 | — | — | |
| SCHEMBL13011245 | 0.80 | — | — | |
| SCHEMBL13011246 | 0.80 | — | — | |
| SCHEMBL12977682 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL1061348 | 0.72 | — | — | |
| SCHEMBL12416009 | 0.72 | — | — | |
| SCHEMBL12977735 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL13616585 | 0.71 | ALDH1A1 (0.30) | — |
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-20100323296-A1 | RESIN AND RESIST COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-12-23 | — | — | US | disclosed |