⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL7712021 | 0.97 | TSHR (0.30) | — | |
| SCHEMBL225686 | 0.97 | — | — | |
| SCHEMBL27658451 | 0.72 | — | — | |
| SCHEMBL6122897 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL6122892 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL8511067 | 0.69 | — | — | |
| SCHEMBL5950718 | 0.67 | — | — | |
| SCHEMBL5950720 | 0.67 | — | — | |
| SCHEMBL23094106 | 0.67 | — | — | |
| SCHEMBL7707970 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11140062-A | — | — | None | — | — | JP | disclosed |
| 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 |
| JP-H11140062-A | PRODUCTION OF 2-SUBSTITUTED 5-FORMYLTHIAZOLE | BAYER AG | 1999-05-25 | — | — | JP | disclosed |
| US-5780638-A | Process for the preparation of 5-hydroxymethylthiazole | BAYER AKTIENGESELLSCHAFT (DE) | 1998-07-14 | — | — | US | disclosed |