⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL310026 | 0.97 | — | — | |
| Alcohol SCHEMBL28348329 | 0.85 | — | — | |
| SCHEMBL8511067 | 0.69 | — | — | |
| SCHEMBL5950720 | 0.67 | — | — | |
| SCHEMBL5950718 | 0.67 | — | — | |
| SCHEMBL23094106 | 0.67 | — | — | |
| SCHEMBL4116512 | 0.67 | — | — | |
| SCHEMBL7707964 | 0.67 | — | — | |
| SCHEMBL251891 | 0.67 | — | — | |
| SCHEMBL1203759 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6372913-B1 | REACTING HALOGENOMALONALDEHYDE WITH THIOCARBAMATE OR DITHIOCARBAMATE IN PRESENCE OF SOLVENT, WHEREIN REACTION MIXTURE COMPRISES LESS THAN 5% BY WEIGHT, BASED ON TOTAL WEIGHT OF SOLVENT, OF WATER | BAYER AG (DE) | 2002-04-16 | — | — | US | disclosed |