⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1611087 | 0.89 | — | — | |
| SCHEMBL1610942 | 0.87 | — | — | |
| SCHEMBL1610953 | 0.87 | PGK1 (0.31) | — | |
| SCHEMBL1612287 | 0.85 | — | — | |
| SCHEMBL1610784 | 0.85 | — | — | |
| SCHEMBL1611316 | 0.80 | — | — | |
| SCHEMBL3103216 | 0.80 | — | — | |
| SCHEMBL1609789 | 0.77 | RAPGEF4 (0.32) | — | |
| SCHEMBL1612074 | 0.77 | HRH3 (0.42) | — | |
| SCHEMBL1611197 | 0.77 | PGK1 (0.31) | — |
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-20110087034-A1 | Organic Semiconductor Material | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2011-04-14 | — | — | US | disclosed |