⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5139937 | 0.73 | — | — | |
| Diallylsulfone SCHEMBL9947 | 0.72 | — | — | |
| SCHEMBL2016950 | 0.72 | CA2 (0.32) | — | |
| Diallylsulfone SCHEMBL28961669 | 0.69 | CA2 (0.31) | — | |
| Diallylsulfone SCHEMBL9518459 | 0.69 | CA2 (0.31) | — | |
| Diallylsulfone SCHEMBL17707262 | 0.69 | CA2 (0.31) | — | |
| SCHEMBL3351890 | 0.69 | — | — | |
| SCHEMBL13609 | 0.69 | — | — | |
| SCHEMBL982269 | 0.69 | — | — | |
| SCHEMBL4786083 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998049181-A1 | NOVEL SULFUR TRANSFER REAGENTS FOR OLIGONUCLEOTIDE SYNTHESIS | HYBRIDON, INC. (US) | 1998-11-05 | — | — | WO | claimed |