⚠ 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL10800777 | 0.92 | — | — | |
| Carbamic Acid SCHEMBL28135221 | 0.87 | — | — | |
| Carbamic Acid SCHEMBL28193333 | 0.85 | ACHE (0.50) | — | |
| Carbamic Acid SCHEMBL904576 | 0.82 | — | — | |
| SCHEMBL8393203 | 0.82 | — | — | |
| Carbamic Acid SCHEMBL11497074 | 0.82 | — | — | |
| Carbamic Acid SCHEMBL5903963 | 0.82 | — | — | |
| Carbamic Acid SCHEMBL5903960 | 0.82 | — | — | |
| Carbamic Acid SCHEMBL286743 | 0.82 | — | — | |
| Thiourea SCHEMBL31483835 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106279002-B | Dithiocarbonic acid derivative and its preparation method and application | 新乡医学院 | 2019-06-14 | — | — | CN | disclosed |
| CN-106279002-A | Dithiocarbonic acid derivant and its preparation method and application | 新乡医学院 | 2017-01-04 | — | — | CN | disclosed |
| CN-106243017-A | Pyridine hydrazone dithiocarbonic acid derivant and its preparation method and application | 新乡医学院 | 2016-12-21 | — | — | CN | disclosed |