⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL310025 | 0.95 | — | — | |
| Alcohol SCHEMBL28348327 | 0.75 | — | — | |
| SCHEMBL251892 | 0.72 | — | — | |
| SCHEMBL3897423 | 0.70 | — | — | |
| SCHEMBL11768466 | 0.70 | — | — | |
| SCHEMBL1350756 | 0.70 | — | — | |
| SCHEMBL6158914 | 0.64 | — | — | |
| SCHEMBL5177638 | 0.64 | — | — | |
| SCHEMBL300957 | 0.64 | — | — | |
| SCHEMBL11423517 | 0.64 | — | — |
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 |