⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL150608 | 0.98 | — | — | |
| SCHEMBL27822978 | 0.95 | — | — | |
| Methane SCHEMBL8089297 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28485453 | 0.93 | TAAR1 (0.56) | — | |
| Ethane SCHEMBL8092722 | 0.93 | TAAR1 (0.56) | — | |
| Propane SCHEMBL8088262 | 0.91 | TAAR1 (0.54) | — | |
| Magnesium Chloride Anhydrous SCHEMBL28485452 | 0.89 | TAAR1 (0.52) | — | |
| Butane SCHEMBL8089205 | 0.89 | TAAR1 (0.52) | — | |
| SCHEMBL28068496 | 0.88 | TAAR1 (0.50) | — | |
| SCHEMBL9591002 | 0.87 | TAAR1 (0.50) | — |
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-107163021-B | Method for preparing 2-thiophene ethanol sulfonate by pot method | 广安润康药业有限公司 | 2020-10-02 | — | — | CN | disclosed |