⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3978359 | 0.74 | — | — | |
| SCHEMBL6138251 | 0.69 | — | — | |
| SCHEMBL11805721 | 0.69 | — | — | |
| SCHEMBL443341 | 0.69 | — | — | |
| SCHEMBL7183777 | 0.64 | — | — | |
| SCHEMBL7093988 | 0.64 | — | — | |
| SCHEMBL7183774 | 0.64 | — | — | |
| Trichloroethane SCHEMBL551406 | 0.62 | — | — | |
| SCHEMBL23270878 | 0.61 | — | — | |
| SCHEMBL8656417 | 0.59 | TSHR (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1078593-C | nucleotide phosphate derivatives | MITSUBISHI CHEM CORP (JP) | 2002-01-30 | — | — | CN | disclosed |
| US-6197775-B1 | VIRICIDES | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-03-06 | — | — | US | disclosed |
| CN-1192744-A | nucleotide phosphate derivatives | MITSUBISH CHEMICAL CORP (JP) | 1998-09-09 | — | — | CN | disclosed |
| EP-0832896-A1 | PHOSPHONATE NUCLEOTIDE DERIVATIVES | MITSUBISHI CHEMICAL CORPORATION (JP) | 1998-04-01 | — | — | EP | disclosed |