⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12955162 | 0.75 | — | — | |
| SCHEMBL25408611 | 0.75 | — | — | |
| SCHEMBL8782330 | 0.73 | — | — | |
| SCHEMBL30167958 | 0.73 | — | — | |
| SCHEMBL25511835 | 0.71 | — | — | |
| SCHEMBL19954016 | 0.69 | — | — | |
| SCHEMBL15447175 | 0.69 | — | — | |
| SCHEMBL2163547 | 0.69 | — | — | |
| SCHEMBL9131093 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL29509403 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104409766-B | NON-AQUEOUS ELECTROLYTIC SOLUTION, ELECTROCHEMICAL ELEMENT USING SAME, AND ALKYNYL COMPOUND USED THEREFOR | 宇部兴产株式会社 | 2017-04-12 | — | — | CN | disclosed |
| CN-102696142-B | Nonaqueous electrolyte solution, electrochemical device using same, and alkynyl compound used in nonaqueous electrolyte solution | UBE INDUSTRIES | 2015-06-03 | — | — | CN | disclosed |
| CN-104409766-A | NON-AQUEOUS ELECTROLYTIC SOLUTION, ELECTROCHEMICAL ELEMENT USING SAME, AND ALKYNYL COMPOUND USED THEREFOR | UBE INDUSTRIES | 2015-03-11 | — | — | CN | disclosed |
| EP-0571546-B1 | CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN INC (US) | 1996-10-16 | — | — | EP | disclosed |