⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8944256 | 0.87 | ALDH1A1 (0.36) | — | |
| SCHEMBL1473977 | 0.74 | — | — | |
| SCHEMBL1509817 | 0.74 | PIK3CD (0.31) | — | |
| SCHEMBL11527597 | 0.70 | — | — | |
| SCHEMBL10508925 | 0.65 | — | — | |
| SCHEMBL217412 | 0.65 | — | — | |
| SCHEMBL9423678 | 0.65 | — | — | |
| SCHEMBL6259261 | 0.64 | ADH1A (0.38) | — | |
| SCHEMBL1605450 | 0.64 | ALOX5 (0.42) | — | |
| SCHEMBL3557381 | 0.64 | ALOX5 (0.42) | — |
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-9701629-B2 | Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites | SONY DEUTSCHLAND GMBH (DE) | 2017-07-11 | — | — | US | disclosed |
| US-20060163564-A1 | Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites | SONY DEUTSCHLAND GMBH (DE) | 2006-07-27 | — | — | US | disclosed |