⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17239399 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL17239401 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL17239400 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL17239398 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL19292563 | 0.78 | — | — | |
| SCHEMBL17239405 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL17239404 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL17239396 | 0.74 | — | — | |
| SCHEMBL17239397 | 0.74 | — | — | |
| SCHEMBL28413863 | 0.74 | TSHR (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3498718-A1 | NON-ENZYMATIC ELECTROCHEMICAL SENSOR FOR MEASURING ANALYTES | Terumo Kabushiki Kaisha (JP) | 2019-06-19 | — | — | EP | disclosed |
| US-5216083-A | Polymerization of cis-5,6-bis(trimethylsiloxy)-1,3-cyclohexadiene and other substituted cyclohexadienes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1993-06-01 | — | — | US | disclosed |
| US-5191025-A | Hydrolysis with fluoride and alcohol | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1993-03-02 | — | — | US | disclosed |
| US-5128418-A | Polypara-phenylene | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1992-07-07 | — | — | US | disclosed |
| US-5122574-A | Acetylating cis-5,6-bis/trimethylsiloxy/-1,3-cyclohexadiene polymer with acetyl chloride, retreating with pyridine and either acetic anhydride or acetyl chloride | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1992-06-16 | — | — | US | disclosed |