⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37921 | 0.83 | — | — | |
| SCHEMBL6534653 | 0.83 | — | — | |
| SCHEMBL30874993 | 0.83 | — | — | |
| Methyl Alcohol SCHEMBL27738455 | 0.80 | — | — | |
| SCHEMBL31401982 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL5838863 | 0.79 | — | — | |
| SCHEMBL1122022 | 0.79 | — | — | |
| Water SCHEMBL11593864 | 0.79 | — | — | |
| SCHEMBL9738638 | 0.79 | — | — | |
| Bromide SCHEMBL8432007 | 0.79 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107162983-B | Synthesis and refining method of methimazole | 常州市天华制药有限公司 | 2020-04-28 | — | — | CN | disclosed |
| US-6479713-B1 | Hydrogenolysis of 5-carbon sugars, sugar alcohols, and other methods and compositions for reactions involving hydrogen | BATTELLE MEMORIAL INSTITUTE | 2002-11-12 | — | — | US | disclosed |