⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12413404 | 0.82 | MAPK1 (0.31) | — | |
| SCHEMBL5522687 | 0.61 | ALOX5 (0.58) | — | |
| SCHEMBL2745154 | 0.58 | — | — | |
| SCHEMBL12413317 | 0.58 | — | — | |
| SCHEMBL5525248 | 0.57 | NISCH (0.40) | — | |
| SCHEMBL12537263 | 0.53 | COMT (0.52) | — | |
| SCHEMBL21720212 | 0.53 | KMT2A (0.38) | — | |
| SCHEMBL15436989 | 0.53 | HSD17B10 (0.32) | — | |
| SCHEMBL12943444 | 0.52 | PTGS2 (0.53) | — | |
| SCHEMBL19229127 | 0.52 | MAPK1 (0.35) | — |
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-20110166362-A1 | NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-07-07 | — | — | US | disclosed |