⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9491335 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL6563268 | 0.74 | — | — | |
| SCHEMBL2321194 | 0.74 | HTT (0.41) | — | |
| SCHEMBL8324012 | 0.72 | — | — | |
| SCHEMBL26134612 | 0.72 | — | — | |
| SCHEMBL10622135 | 0.72 | LMNA (0.41) | — | |
| SCHEMBL7553646 | 0.70 | — | — | |
| SCHEMBL7553643 | 0.70 | — | — | |
| SCHEMBL28848916 | 0.70 | — | — | |
| SCHEMBL28570617 | 0.70 | — | — |
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-1083428-C | Aqueous process for preparing methyl dithiocarbazinate | BAYER AG (US) | 2002-04-24 | — | — | CN | disclosed |
| CN-1183407-A | Aqueous process for preparing methyl dithiocarbazinate | BAYER AG (US) | 1998-06-03 | — | — | CN | disclosed |
| US-5162539-A | Reaction of a carboxylic acid with a dithiocarbazic ester in the presence of phosphoryl chloride | BAYER AKTIENGESELLSCHAFT (DE) | 1992-11-10 | — | — | US | disclosed |