⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8949835 | 0.76 | — | — | |
| SCHEMBL8949978 | 0.73 | — | — | |
| SCHEMBL12192415 | 0.73 | — | — | |
| SCHEMBL434706 | 0.70 | — | — | |
| SCHEMBL23712986 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL8742077 | 0.67 | — | — | |
| SCHEMBL17119228 | 0.67 | — | — | |
| SCHEMBL18533586 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL3033587 | 0.67 | — | — | |
| Ethane SCHEMBL28085461 | 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 |
|---|---|---|---|---|---|---|---|
| CN-107001350-A | Effective and expansible synthesis of the carboxylate methyl ester of 2 (carbonyl of 1 ' H indoles 3 ') thiazole 4 and its analogue | AHR制药股份公司 | 2017-08-01 | — | — | CN | disclosed |