⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12532473 | 0.43 | — | — | |
| SCHEMBL3690050 | 0.43 | — | — | |
| SCHEMBL11334 | 0.43 | — | — | |
| SCHEMBL32688091 | 0.43 | — | — | |
| SCHEMBL1554792 | 0.43 | — | — | |
| SCHEMBL12950501 | 0.43 | — | — | |
| Charcoal, Activated SCHEMBL8196903 | 0.35 | — | — | |
| SCHEMBL9664243 | 0.35 | — | — | |
| Charcoal, Activated SCHEMBL10416972 | 0.35 | — | — | |
| SCHEMBL250015 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163776-B2 | Immunomodulation by administering thione-forming dithiobis-heterocyclic compound, increased natural killer cell activity, expansion of NK cell population, decreased B cell population, decreased antibody production | GRASSETTI FAMILY TRUST (US) | 2012-04-24 | — | — | US | disclosed |
| CN-1962626-A | 1-methylamino-1- methylthio-2-nitroethylene synthesis method | UNIV HEBEI SCIENCE & TECH (CN) | 2007-05-16 | — | — | CN | disclosed |