⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15889359 | 0.79 | — | — | |
| SCHEMBL15896565 | 0.76 | TDP1 (0.41) | — | |
| SCHEMBL11606712 | 0.76 | TDP1 (0.41) | — | |
| SCHEMBL15896496 | 0.75 | TDP1 (0.40) | — | |
| SCHEMBL15896512 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL15889438 | 0.75 | TDP1 (0.40) | — | |
| SCHEMBL16901857 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL31595934 | 0.73 | ALDH1A1 (0.55) | — | |
| SCHEMBL22323374 | 0.73 | F2 (0.42) | — | |
| SCHEMBL21199714 | 0.72 | ALDH1A1 (0.40) | — |
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-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 |
| EP-0896962-A1 | Process for the preparation of 2-substituted-5-formylthiazoles | BAYER AG (DE) | 1999-02-17 | — | — | EP | disclosed |