⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13295490 | 0.74 | — | — | |
| SCHEMBL19446757 | 0.68 | — | — | |
| SCHEMBL9908379 | 0.56 | — | — | |
| SCHEMBL19446709 | 0.55 | — | — | |
| SCHEMBL14787372 | 0.49 | — | — | |
| SCHEMBL4998493 | 0.43 | — | — | |
| SCHEMBL16589782 | 0.41 | — | — | |
| SCHEMBL5023893 | 0.26 | — | — | |
| SCHEMBL18979 | 0.25 | — | — | |
| Methane SCHEMBL23044967 | 0.21 | — | — |
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-7732507-B2 | Spirotetrathiocarbamates and spirooxothiocarbamates | ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) | 2010-06-08 | — | — | US | disclosed |
| US-20080103230-A1 | Spirotetrathiocarbamates and Spirooxothiocarbamates | ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) | 2008-05-01 | — | — | US | disclosed |